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

Formula:C16H12N4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-bromophenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine is a drug-like molecule.

MolName	(Z)-1-(4-bromophenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
MolecularFormula	C16H12N4BrClS
Smiles	Clc1c(CSc2nncn2/N=C\c(cc2)ccc2Br)cccc1
InChI	InChI=1S/C16H12BrClN4S/c17-14-7-5-12(6-8-14)9-20-22-11-19-21-16(22)23-10-13-3-1-2-4-15(13)18/h1-9,11H,10H2
InChIK	ZPFYYFOLPLHJBA-UHFFFAOYSA-N
TotalMolweight	407.722
Molweight	407.722
MonoisotopicMass	405.965454
CLogP	4.763
CLogS	-8.078
H Acceptors	4
TotalSurfaceArea	269.56
Relative PSA	0.21446
PolarSurfaceArea	68.37
Druglikeness	2.2039
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)-1-(4-bromophenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine | 2 - (Z)-1-(4-bromophenyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

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