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

Formula:C24H17N5O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[(Z)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C24H17N5O3Cl2S
Smiles	OC(c1ccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c(cc2)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C24H17Cl2N5O3S/c25-18-7-5-16(6-8-18)22-29-30-24(31(22)20-11-9-19(26)10-12-20)35-14-21(32)28-27-13-15-1-3-17(4-2-15)23(33)34/h1-13H,14H2,(H,28,32)(H,33,34)
InChIK	XRSNTJCGDYITFZ-UHFFFAOYSA-N
TotalMolweight	526.403
Molweight	526.403
MonoisotopicMass	525.042914
CLogP	5.2289
CLogS	-9.901
H Acceptors	8
H Donors	2
TotalSurfaceArea	379.42
Relative PSA	0.28583
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	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

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