4-[(Z)-anthracen-9-ylmethylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione

Formula:C24H17N4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione is not a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione
MolecularFormula	C24H17N4ClS
Smiles	S=C(N(Cc(cccc1)c1Cl)N=C1)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C24H17ClN4S/c25-23-12-6-3-9-19(23)15-28-24(30)29(16-27-28)26-14-22-20-10-4-1-7-17(20)13-18-8-2-5-11-21(18)22/h1-14,16H,15H2
InChIK	WZLJJSJOBRHVFH-UHFFFAOYSA-N
TotalMolweight	428.946
Molweight	428.946
MonoisotopicMass	428.086243
CLogP	6.0791
CLogS	-8.216
H Acceptors	4
TotalSurfaceArea	320.73
Relative PSA	0.18121
PolarSurfaceArea	63.29
Druglikeness	3.922
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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1 - 4-[(Z)-anthracen-9-ylmethylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione | 2 - 4-[(Z)-anthracen-9-ylmethylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione

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