(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine

Formula:C16H12N4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine is a drug-like molecule.

MolName	(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine
MolecularFormula	C16H12N4Cl2S
Smiles	Clc(ccc(/C=N\n1c(SCc2ccccc2)nnc1)c1)c1Cl
InChI	InChI=1S/C16H12Cl2N4S/c17-14-7-6-13(8-15(14)18)9-20-22-11-19-21-16(22)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIK	MCHUAJGDFILURA-UHFFFAOYSA-N
TotalMolweight	363.271
Molweight	363.271
MonoisotopicMass	362.01597
CLogP	4.6438
CLogS	-7.98
H Acceptors	4
TotalSurfaceArea	266.35
Relative PSA	0.21705
PolarSurfaceArea	68.37
Druglikeness	3.9939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine

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