2-[(2-chlorophenyl)methyl]-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione

Formula:C16H11N4Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[(2-chlorophenyl)methyl]-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	2-[(2-chlorophenyl)methyl]-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione
MolecularFormula	C16H11N4Cl3S
Smiles	S=C(N(Cc(cccc1)c1Cl)N=C1)N1/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H11Cl3N4S/c17-13-6-5-11(15(19)7-13)8-20-23-10-21-22(16(23)24)9-12-3-1-2-4-14(12)18/h1-8,10H,9H2
InChIK	JHJDGNPZRJADES-UHFFFAOYSA-N
TotalMolweight	397.716
Molweight	397.716
MonoisotopicMass	395.976997
CLogP	4.9023
CLogS	-6.476
H Acceptors	4
TotalSurfaceArea	282.37
Relative PSA	0.20583
PolarSurfaceArea	63.29
Druglikeness	3.922
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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1 - 2-[(2-chlorophenyl)methyl]-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione | 2 - 2-[(2-chlorophenyl)methyl]-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3-thione

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