(E)-2-(4-chlorobenzoyl)-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile

Formula:C20H12NO2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-chlorobenzoyl)-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(4-chlorobenzoyl)-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile
MolecularFormula	C20H12NO2ClS
Smiles	N#C/C(/C(c(cc1)ccc1Cl)=O)=C\c(scc1)c1Oc1ccccc1
InChI	InChI=1S/C20H12ClNO2S/c21-16-8-6-14(7-9-16)20(23)15(13-22)12-19-18(10-11-25-19)24-17-4-2-1-3-5-17/h1-12H
InChIK	GQHIAOHWMDATLG-UHFFFAOYSA-N
TotalMolweight	365.839
Molweight	365.839
MonoisotopicMass	365.027726
CLogP	5.024
CLogS	-7.155
H Acceptors	3
TotalSurfaceArea	278.31
Relative PSA	0.20466
PolarSurfaceArea	78.33
Druglikeness	-2.4636
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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