(E)-2-benzoyl-3-thiophen-2-ylprop-2-enenitrile

Formula:C14H9NOS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzoyl-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C14H9NOS
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1cccs1
InChI	InChI=1S/C14H9NOS/c15-10-12(9-13-7-4-8-17-13)14(16)11-5-2-1-3-6-11/h1-9H
InChIK	GBBWQFWDULNWTL-UHFFFAOYSA-N
TotalMolweight	239.297
Molweight	239.297
MonoisotopicMass	239.040484
CLogP	3.0224
CLogS	-4.122
H Acceptors	2
TotalSurfaceArea	193.13
Relative PSA	0.24315
PolarSurfaceArea	69.1
Druglikeness	-1.9055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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