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

Formula:C15H11N4OFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-fluorophenyl)-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-fluorophenyl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H11N4OFS
Smiles	Fc(cccc1)c1C(N1/N=C\C=C\c2ccco2)=NNC1=S
InChI	InChI=1S/C15H11FN4OS/c16-13-8-2-1-7-12(13)14-18-19-15(22)20(14)17-9-3-5-11-6-4-10-21-11/h1-10H,(H,19,22)
InChIK	UFXVIXBQKSDPRK-UHFFFAOYSA-N
TotalMolweight	314.343
Molweight	314.343
MonoisotopicMass	314.063759
CLogP	2.6028
CLogS	-4.739
H Acceptors	5
H Donors	1
TotalSurfaceArea	244.26
Relative PSA	0.32809
PolarSurfaceArea	85.22
Druglikeness	2.1367
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.59091
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
StereoCon

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

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