3-(4-chlorophenyl)-4-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C16H11N4Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(4-chlorophenyl)-4-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H11N4Cl3S
Smiles	C/C(/c(cc1)cc(Cl)c1Cl)=N/N(C(c(cc1)ccc1Cl)=NN1)C1=S
InChI	InChI=1S/C16H11Cl3N4S/c1-9(11-4-7-13(18)14(19)8-11)22-23-15(20-21-16(23)24)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,21,24)
InChIK	NKTBGJSDUASTDP-UHFFFAOYSA-N
TotalMolweight	397.716
Molweight	397.716
MonoisotopicMass	395.976997
CLogP	5.0509
CLogS	-7.019
H Acceptors	4
H Donors	1
TotalSurfaceArea	278.45
Relative PSA	0.23713
PolarSurfaceArea	72.08
Druglikeness	2.77
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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