3-(2,4-dichlorophenyl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Formula:C15H10N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N4OCl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C15H10Cl2N4OS/c16-10-5-6-12(13(17)9-10)14-19-20-15(23)21(14)18-7-1-3-11-4-2-8-22-11/h1-9H,(H,20,23)
InChIK	ZARAEZZHTKGELK-UHFFFAOYSA-N
TotalMolweight	365.243
Molweight	365.243
MonoisotopicMass	363.995235
CLogP	3.714
CLogS	-5.897
H Acceptors	5
H Donors	1
TotalSurfaceArea	268.75
Relative PSA	0.2982
PolarSurfaceArea	85.22
Druglikeness	3.5427
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	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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

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