2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate

Formula:C23H17N6O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C23H17N6O4S
Smiles	[O-]c(cc1)c(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C23H18N6O4S/c30-20-12-11-19(29(32)33)13-17(20)14-24-25-21(31)15-34-23-27-26-22(16-7-3-1-4-8-16)28(23)18-9-5-2-6-10-18/h1-14,30H,15H2,(H,25,31)/p-1
InChIK	SEDBVLNUWYKSOO-UHFFFAOYSA-M
TotalMolweight	473.492
Molweight	473.492
MonoisotopicMass	473.103199
CLogP	1.6865
CLogS	-8.58
H Acceptors	10
H Donors	1
TotalSurfaceArea	355.68
Relative PSA	0.35709
PolarSurfaceArea	166.35
Druglikeness	0.29732
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate

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