(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,6-dichlorophenyl)methanimine

Formula:C16H11N4Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,6-dichlorophenyl)methanimine is not a drug-like molecule.

MolName	(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,6-dichlorophenyl)methanimine
MolecularFormula	C16H11N4Cl3S
Smiles	Clc1c(CSc2nncn2N=Cc(c(Cl)ccc2)c2Cl)cccc1
InChI	InChI=1S/C16H11Cl3N4S/c17-13-5-2-1-4-11(13)9-24-16-22-20-10-23(16)21-8-12-14(18)6-3-7-15(12)19/h1-8,10H,9H2
InChIK	WINZKNIAUDTSFT-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	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
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	3
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,6-dichlorophenyl)methanimine | 2 - (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,6-dichlorophenyl)methanimine

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