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3,4-Diaminobenzhydrazide,3,5-Diaminobenzohydrazide,ZINC00156698, 3,5-d

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摘 要:3,4-Diaminobenzhydrazide,3,5-Diaminobenzohydrazide,ZINC00156698, 3,5-diaminobenzohydrazide,Canonical SMILES: C1=C(C=C(C=C1N)N)C(=O)NN,InChI: InChI=1/C7H10N4O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,8-10H2,(H,11,,12)/f/h11H,Molecular Weight166.1805 [g/mol
[Synonyms]
3,4-Diaminobenzhydrazide
3,5-Diaminobenzohydrazide
ZINC00156698

[Structure]
3,4-Diaminobenzhydrazide,3,5-Diaminobenzohydrazide,ZINC00156698, 3,5-d

[ Properties Computed from Structure]
Molecular Weight166.1805 [g/mol]
Molecular FormulaC7H10N4O
XLogP-1.2
H-Bond Donor4
H-Bond Acceptor4
Rotatable Bond Count1
Tautomer Count2
Exact Mass166.085461
MonoIsotopic Mass166.085461
Topological Polar Surface Area107
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,5-diaminobenzohydrazide
Canonical SMILES: C1=C(C=C(C=C1N)N)C(=O)NN
InChI: InChI=1/C7H10N4O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,8-10H2,(H,11,
12)/f/h11H

 
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