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

Formula:C15H11N4OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(4-chlorophenyl)-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-(4-chlorophenyl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H11N4OClS
Smiles	S=C(NN=C1c(cc2)ccc2Cl)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C15H11ClN4OS/c16-12-7-5-11(6-8-12)14-18-19-15(22)20(14)17-9-1-3-13-4-2-10-21-13/h1-10H,(H,19,22)
InChIK	ZTGMZSZSLXXWJU-UHFFFAOYSA-N
TotalMolweight	330.798
Molweight	330.798
MonoisotopicMass	330.034208
CLogP	3.108
CLogS	-5.161
H Acceptors	5
H Donors	1
TotalSurfaceArea	253.33
Relative PSA	0.31635
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	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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

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