4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C24H18N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C24H18N5O3ClS
Smiles	OC(c1ccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C24H18ClN5O3S/c25-19-12-10-17(11-13-19)22-28-29-24(30(22)20-4-2-1-3-5-20)34-15-21(31)27-26-14-16-6-8-18(9-7-16)23(32)33/h1-14H,15H2,(H,27,31)(H,32,33)
InChIK	FDPWHSOZKUACQG-UHFFFAOYSA-N
TotalMolweight	491.958
Molweight	491.958
MonoisotopicMass	491.081887
CLogP	4.6229
CLogS	-9.165
H Acceptors	8
H Donors	2
TotalSurfaceArea	364
Relative PSA	0.29794
PolarSurfaceArea	134.77
Druglikeness	5.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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