4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Formula:C12H8N6O3S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C12H8N6O3S
Smiles	[O-][N+](c1ccc(/C=N\N(C(c2ccncc2)=NN2)C2=S)o1)=O
InChI	InChI=1S/C12H8N6O3S/c19-18(20)10-2-1-9(21-10)7-14-17-11(15-16-12(17)22)8-3-5-13-6-4-8/h1-7H,(H,16,22)
InChIK	FBOXORKUMYCPJL-UHFFFAOYSA-N
TotalMolweight	316.301
Molweight	316.301
MonoisotopicMass	316.037859
CLogP	0.9126
CLogS	-4.323
H Acceptors	9
H Donors	1
TotalSurfaceArea	233.84
Relative PSA	0.51971
PolarSurfaceArea	143.93
Druglikeness	2.9964
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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