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

Formula:C19H13N4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H13N4BrS
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1cccc2ccccc12
InChI	InChI=1S/C19H13BrN4S/c20-17-11-4-3-10-16(17)18-22-23-19(25)24(18)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,25)
InChIK	XUZGLKNRPOWXFP-UHFFFAOYSA-N
TotalMolweight	409.31
Molweight	409.31
MonoisotopicMass	408.004427
CLogP	5.2146
CLogS	-6.891
H Acceptors	4
H Donors	1
TotalSurfaceArea	274.95
Relative PSA	0.24015
PolarSurfaceArea	72.08
Druglikeness	1.8015
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52
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
StereoCon

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

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