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

Formula:C17H12N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(3-chlorophenyl)-4-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(3-chlorophenyl)-4-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H12N5O2ClS
Smiles	[O-][N+](c1c(/C=C/C=N\N(C(c2cccc(Cl)c2)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C17H12ClN5O2S/c18-14-8-3-6-13(11-14)16-20-21-17(26)22(16)19-10-4-7-12-5-1-2-9-15(12)23(24)25/h1-11H,(H,21,26)
InChIK	RBABZRDQAHMXAM-UHFFFAOYSA-N
TotalMolweight	385.834
Molweight	385.834
MonoisotopicMass	385.040022
CLogP	2.9977
CLogS	-5.939
H Acceptors	7
H Donors	1
TotalSurfaceArea	287.31
Relative PSA	0.3357
PolarSurfaceArea	117.9
Druglikeness	-1.4918
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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

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