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

Formula:C15H11N5O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(furan-2-yl)-4-[(Z)-[(E)-3-(2-nitrophenyl)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-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H11N5O3S
Smiles	[O-][N+](c1c(/C=C/C=N\N(C(c2ccco2)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C15H11N5O3S/c21-20(22)12-7-2-1-5-11(12)6-3-9-16-19-14(17-18-15(19)24)13-8-4-10-23-13/h1-10H,(H,18,24)
InChIK	MDTIRXOYFKDTLV-UHFFFAOYSA-N
TotalMolweight	341.35
Molweight	341.35
MonoisotopicMass	341.05826
CLogP	1.5804
CLogS	-4.885
H Acceptors	8
H Donors	1
TotalSurfaceArea	261.58
Relative PSA	0.42266
PolarSurfaceArea	131.04
Druglikeness	-1.5319
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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

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