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

Formula:C16H12N5ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H12N5ClS
Smiles	S=C(NN=C1c2cnccc2)N1/N=C\C(\Cl)=C/c1ccccc1
InChI	InChI=1S/C16H12ClN5S/c17-14(9-12-5-2-1-3-6-12)11-19-22-15(20-21-16(22)23)13-7-4-8-18-10-13/h1-11H,(H,21,23)
InChIK	CEMGITWZZWBWGS-UHFFFAOYSA-N
TotalMolweight	341.825
Molweight	341.825
MonoisotopicMass	341.050192
CLogP	2.774
CLogS	-4.639
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.61
Relative PSA	0.29546
PolarSurfaceArea	84.97
Druglikeness	3.8933
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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

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