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

Formula:C13H10N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(furan-2-yl)-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-(furan-2-yl)-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H10N4O2S
Smiles	S=C(NN=C1c2ccco2)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C13H10N4O2S/c20-13-16-15-12(11-6-3-9-19-11)17(13)14-7-1-4-10-5-2-8-18-10/h1-9H,(H,16,20)
InChIK	GFBXSWZKKQOHQG-UHFFFAOYSA-N
TotalMolweight	286.314
Molweight	286.314
MonoisotopicMass	286.052446
CLogP	1.6907
CLogS	-4.107
H Acceptors	6
H Donors	1
TotalSurfaceArea	227.6
Relative PSA	0.4141
PolarSurfaceArea	98.36
Druglikeness	3.4767
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
StereoCon

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

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