4-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Formula:C11H8N4OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-furan-2-ylmethylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C11H8N4OS2
Smiles	S=C(NN=C1c2cccs2)N1/N=C\c1ccco1
InChI	InChI=1S/C11H8N4OS2/c17-11-14-13-10(9-4-2-6-18-9)15(11)12-7-8-3-1-5-16-8/h1-7H,(H,14,17)
InChIK	JBMOABCHHPDJTI-UHFFFAOYSA-N
TotalMolweight	276.344
Molweight	276.344
MonoisotopicMass	276.013951
CLogP	2.3503
CLogS	-4.143
H Acceptors	5
H Donors	1
TotalSurfaceArea	207.35
Relative PSA	0.48469
PolarSurfaceArea	113.46
Druglikeness	4.832
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
StereoCon

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