3-(4-chlorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C19H13N4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(4-chlorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H13N4ClS
Smiles	S=C(NN=C1c(cc2)ccc2Cl)N1/N=C\c1cccc2ccccc12
InChI	InChI=1S/C19H13ClN4S/c20-16-10-8-14(9-11-16)18-22-23-19(25)24(18)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,23,25)
InChIK	IOHVZVQASPCBFA-UHFFFAOYSA-N
TotalMolweight	364.859
Molweight	364.859
MonoisotopicMass	364.054943
CLogP	5.0954
CLogS	-6.793
H Acceptors	4
H Donors	1
TotalSurfaceArea	271.74
Relative PSA	0.24299
PolarSurfaceArea	72.08
Druglikeness	3.6145
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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