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

Formula:C30H22N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
MolecularFormula	C30H22N5O3ClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O
InChI	InChI=1S/C30H22ClN5O3S/c31-24-11-7-10-23(18-24)29(38)39-26-16-14-21(15-17-26)19-32-33-27(37)20-40-30-35-34-28(22-8-3-1-4-9-22)36(30)25-12-5-2-6-13-25/h1-19H,20H2,(H,33,37)
InChIK	YINYVEJZVJSWNK-UHFFFAOYSA-N
TotalMolweight	568.056
Molweight	568.056
MonoisotopicMass	567.113187
CLogP	6.5683
CLogS	-10.622
H Acceptors	8
H Donors	1
TotalSurfaceArea	427.41
Relative PSA	0.24648
PolarSurfaceArea	123.77
Druglikeness	5.1865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.575
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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