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

Formula:C14H8NOClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(2-chlorobenzoyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(2-chlorobenzoyl)-3-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C14H8NOClS
Smiles	N#C/C(/C(c(cccc1)c1Cl)=O)=C\c1cccs1
InChI	InChI=1S/C14H8ClNOS/c15-13-6-2-1-5-12(13)14(17)10(9-16)8-11-4-3-7-18-11/h1-8H
InChIK	ZTBBBQXDOCJHPD-UHFFFAOYSA-N
TotalMolweight	273.743
Molweight	273.743
MonoisotopicMass	273.001511
CLogP	3.6284
CLogS	-4.858
H Acceptors	2
TotalSurfaceArea	208.55
Relative PSA	0.22517
PolarSurfaceArea	69.1
Druglikeness	-1.8426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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