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

Formula:C17H13N4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(4-chlorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H13N4ClS
Smiles	S=C(NN=C1c(cc2)ccc2Cl)N1/N=C\C=C\c1ccccc1
InChI	InChI=1S/C17H13ClN4S/c18-15-10-8-14(9-11-15)16-20-21-17(23)22(16)19-12-4-7-13-5-2-1-3-6-13/h1-12H,(H,21,23)
InChIK	SNYLSSXZGDASSB-UHFFFAOYSA-N
TotalMolweight	340.837
Molweight	340.837
MonoisotopicMass	340.054943
CLogP	3.9193
CLogS	-5.479
H Acceptors	4
H Donors	1
TotalSurfaceArea	263.64
Relative PSA	0.25046
PolarSurfaceArea	72.08
Druglikeness	3.6625
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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

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