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

Formula:C12H7NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(furan-2-carbonyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(furan-2-carbonyl)-3-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C12H7NO2S
Smiles	N#C/C(/C(c1ccco1)=O)=C\c1cccs1
InChI	InChI=1S/C12H7NO2S/c13-8-9(7-10-3-2-6-16-10)12(14)11-4-1-5-15-11/h1-7H
InChIK	DWSHBBQSDJXNDC-UHFFFAOYSA-N
TotalMolweight	229.259
Molweight	229.259
MonoisotopicMass	229.019749
CLogP	2.2111
CLogS	-3.804
H Acceptors	3
TotalSurfaceArea	182.82
Relative PSA	0.33404
PolarSurfaceArea	82.24
Druglikeness	-2.0482
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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