(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-naphthalen-1-ylmethanimine

Formula:C20H15N4ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-naphthalen-1-ylmethanimine is not a drug-like molecule.

MolName	(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-naphthalen-1-ylmethanimine
MolecularFormula	C20H15N4ClS
Smiles	Clc1ccc(CSc2nncn2/N=C\c2cccc3ccccc23)cc1
InChI	InChI=1S/C20H15ClN4S/c21-18-10-8-15(9-11-18)13-26-20-24-22-14-25(20)23-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,14H,13H2
InChIK	TVKWSKXQAZQMJO-UHFFFAOYSA-N
TotalMolweight	378.886
Molweight	378.886
MonoisotopicMass	378.070593
CLogP	5.2322
CLogS	-8.85
H Acceptors	4
TotalSurfaceArea	285.53
Relative PSA	0.20247
PolarSurfaceArea	68.37
Druglikeness	3.9939
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-naphthalen-1-ylmethanimine | 2 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-naphthalen-1-ylmethanimine

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