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

Formula:C19H12N4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H12N4Cl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c1cccc2ccccc12
InChI	InChI=1S/C19H12Cl2N4S/c20-14-8-9-16(17(21)10-14)18-23-24-19(26)25(18)22-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,24,26)
InChIK	GUGCGEYBYJXKLY-UHFFFAOYSA-N
TotalMolweight	399.304
Molweight	399.304
MonoisotopicMass	398.01597
CLogP	5.7014
CLogS	-7.529
H Acceptors	4
H Donors	1
TotalSurfaceArea	287.16
Relative PSA	0.22994
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	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
StereoCon

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

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