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

Formula:C16H11N4Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dichlorophenyl)methanimine is not a drug-like molecule.

MolName	(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dichlorophenyl)methanimine
MolecularFormula	C16H11N4Cl3S
Smiles	Clc1ccc(CSc2nncn2/N=C\c(cc2)cc(Cl)c2Cl)cc1
InChI	InChI=1S/C16H11Cl3N4S/c17-13-4-1-11(2-5-13)9-24-16-22-20-10-23(16)21-8-12-3-6-14(18)15(19)7-12/h1-8,10H,9H2
InChIK	MSHJOQVZUBYZDZ-UHFFFAOYSA-N
TotalMolweight	397.716
Molweight	397.716
MonoisotopicMass	395.976997
CLogP	5.2498
CLogS	-8.716
H Acceptors	4
TotalSurfaceArea	281.77
Relative PSA	0.20517
PolarSurfaceArea	68.37
Druglikeness	3.9939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
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-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dichlorophenyl)methanimine

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