3-(2-chlorophenyl)-4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Formula:C17H12N4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-chlorophenyl)-4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-chlorophenyl)-4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H12N4Cl2S
Smiles	S=C(NN=C1c(cccc2)c2Cl)N1/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C17H12Cl2N4S/c18-13(10-12-6-2-1-3-7-12)11-20-23-16(21-22-17(23)24)14-8-4-5-9-15(14)19/h1-11H,(H,22,24)
InChIK	NTVNUMCYFHRWSA-UHFFFAOYSA-N
TotalMolweight	375.282
Molweight	375.282
MonoisotopicMass	374.01597
CLogP	4.3809
CLogS	-6.17
H Acceptors	4
H Donors	1
TotalSurfaceArea	277.27
Relative PSA	0.23814
PolarSurfaceArea	72.08
Druglikeness	3.8933
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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1 - 3-(2-chlorophenyl)-4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-chlorophenyl)-4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

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