(E)-2-(thiophene-2-carbonyl)-3-thiophen-2-ylprop-2-enenitrile

Formula:C12H7NOS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(thiophene-2-carbonyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(thiophene-2-carbonyl)-3-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C12H7NOS2
Smiles	N#C/C(/C(c1cccs1)=O)=C\c1cccs1
InChI	InChI=1S/C12H7NOS2/c13-8-9(7-10-3-1-5-15-10)12(14)11-4-2-6-16-11/h1-7H
InChIK	HEIVEXHMQZYUID-UHFFFAOYSA-N
TotalMolweight	245.326
Molweight	245.326
MonoisotopicMass	244.996904
CLogP	2.889
CLogS	-4.132
H Acceptors	2
TotalSurfaceArea	189.07
Relative PSA	0.35606
PolarSurfaceArea	97.34
Druglikeness	-1.7289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
StereoCon

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