From 5b2b1a4f56f68ef39d293153e1cf547bdcb9f3a1 Mon Sep 17 00:00:00 2001 From: c2v2zw4k Date: Mon, 22 May 2023 03:20:23 +0000 Subject: [PATCH] Upload files to 'assets/docs/synthesis/molecules/molecules-procedural/desc' --- .../molecules-procedural/desc/ArCmCuHMnOOsPaPtSeTmYb.html | 1 + .../synthesis/molecules/molecules-procedural/desc/C3H8N4O7.html | 1 + .../molecules/molecules-procedural/desc/CH10Cl2F2N3O2P2S.html | 1 + .../synthesis/molecules/molecules-procedural/desc/CH7N2O2.html | 1 + .../molecules/molecules-procedural/desc/ClHCCHSFHOCNOO.html | 1 + 5 files changed, 5 insertions(+) create mode 100644 assets/docs/synthesis/molecules/molecules-procedural/desc/ArCmCuHMnOOsPaPtSeTmYb.html create mode 100644 assets/docs/synthesis/molecules/molecules-procedural/desc/C3H8N4O7.html create mode 100644 assets/docs/synthesis/molecules/molecules-procedural/desc/CH10Cl2F2N3O2P2S.html create mode 100644 assets/docs/synthesis/molecules/molecules-procedural/desc/CH7N2O2.html create mode 100644 assets/docs/synthesis/molecules/molecules-procedural/desc/ClHCCHSFHOCNOO.html diff --git a/assets/docs/synthesis/molecules/molecules-procedural/desc/ArCmCuHMnOOsPaPtSeTmYb.html b/assets/docs/synthesis/molecules/molecules-procedural/desc/ArCmCuHMnOOsPaPtSeTmYb.html new file mode 100644 index 0000000..bf98a42 --- /dev/null +++ b/assets/docs/synthesis/molecules/molecules-procedural/desc/ArCmCuHMnOOsPaPtSeTmYb.html @@ -0,0 +1 @@ +
FormulaArCmCuHMnOOsPaPtSeTmYb
Molecular weight1212.7134 u
Hydrogen bond donors0
Hydrogen bond acceptors4
Percent composition
Ar 39.948 u × 1 NaN %
Cm undefined u × 1 NaN %
Cu 63.546 u × 1 NaN %
H 1.00794 u × 1 NaN %
Mn 54.938046 u × 1 NaN %
O 15.9994 u × 1 NaN %
Os 190.23 u × 1 NaN %
Pa undefined u × 1 NaN %
Pt 195.084 u × 1 NaN %
Se 78.96 u × 1 NaN %
Tm undefined u × 1 NaN %
Yb undefined u × 1 NaN %
Canonical SMILES[O-3]([Pt+4][Mn][Se-][Pa--])[H+3][Cu][Yb][Cm+4][Tm-3][Os+][Ar++]
Isomeric SMILES[Pa-2][Se-][Mn][Pt+4][O-3][H+3][Cu][Yb][Cm+4][Tm-3][Os+][Ar+2]
InChIKeyKJIIUCGLTYVLED-UHFFFAOYSA-N
InChIInChI=1S/Ar.Cm.Cu.Mn.HO.Os.Pa.Pt.Se.Tm.Yb/h;;;;1H;;;;;;/q+2;+4;;;;+1;-2;+4;-1;-3;
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FormulaC3H8N4O7
Molecular weight212.1188 u
Hydrogen bond donors3
Hydrogen bond acceptors9
Percent composition
C 12.0107 u × 3 16.987 %
H 1.00794 u × 8 3.8014 %
N 14.0067 u × 4 26.413 %
O 15.9994 u × 7 52.799 %
Canonical SMILES[C-3]C[OH2++][C--][NH2+][N-][O-3][O+]O[O-][N-4][NH2+]O[O-]
Isomeric SMILES[O-]O[N+][N-4][O-]O[O+][O-3][N-][N+][C-2][O+2]C[C-3]
InChIKeyVDQOGOGVZVNLLW-UHFFFAOYSA-M
InChIInChI=1S/C3H9N4O7/c1-2-9-3-4-5-11-13-14-12-7-6-10-8/h8H,2,4,6,9H2/q-9/p-1
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FormulaCH10Cl2F2N3O2P2S
Molecular weight299.0192 u
Hydrogen bond donors4
Hydrogen bond acceptors5
Percent composition
C 12.0107 u × 1 4.0166 %
H 1.00794 u × 10 3.3708 %
Cl 35.453 u × 2 23.712 %
F 18.998404 u × 2 12.707 %
N 14.0067 u × 3 14.052 %
O 15.9994 u × 2 10.701 %
P 30.973763 u × 2 20.717 %
S 32.065 u × 1 10.723 %
Canonical SMILESN[F]NS[F]PPC[ClH].ONO[ClH]
Isomeric SMILESO([H])N([H])OCl[H]ClCP([H])P([H])FSN([H])FN([H])[H]
InChIKeyHNVBNBFUUPRVCL-UHFFFAOYSA-N
InChIInChI=1S/CH10Cl2F2N3O2P2S/c6-4-7-13-5-12-11-1-2-14-3-10-8-9/h7-9,11-12H,1,6H2
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FormulaCH7N2O2
Molecular weight79.0785 u
Hydrogen bond donors3
Hydrogen bond acceptors3
Percent composition
C 12.0107 u × 1 15.188 %
H 1.00794 u × 7 8.9223 %
N 14.0067 u × 2 35.425 %
O 15.9994 u × 2 40.465 %
Canonical SMILESNC[O](N)O
Isomeric SMILESN([H])([H])CO(N([H])[H])O[H]
InChIKeyOYHFORUHCIVFLZ-UHFFFAOYSA-N
InChIInChI=1S/CH7N2O2/c2-1-5(3)4/h4H,1-3H2
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FormulaC3H11ClFNO3S
Molecular weight195.6362 u
Hydrogen bond donors2
Hydrogen bond acceptors4
Percent composition
C 12.0107 u × 3 18.417 %
H 1.00794 u × 11 5.6672 %
Cl 35.453 u × 1 18.121 %
F 18.998404 u × 1 9.7109 %
N 14.0067 u × 1 7.1594 %
O 15.9994 u × 3 24.534 %
S 32.065 u × 1 16.390 %
Canonical SMILESCl.CC.OCNOO.[FH]S
Isomeric SMILESCl[H]CC[H]SF[H]OCN([H])OO[H]
InChIKeySWJZROQGLFUSOX-UHFFFAOYSA-N
InChIInChI=1S/C3H11ClFNO3S/c4-11-1-2-12-10-5-13-8-3-6-9-7/h6-7H,1-3H2
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