(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-benzoylprop-2-enenitrile

Formula:C20H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-benzoylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-benzoylprop-2-enenitrile
MolecularFormula	C20H14N2O3S
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1cccn1S(c1ccccc1)(=O)=O
InChI	InChI=1S/C20H14N2O3S/c21-15-17(20(23)16-8-3-1-4-9-16)14-18-10-7-13-22(18)26(24,25)19-11-5-2-6-12-19/h1-14H
InChIK	YJZZHBWLOBYMSO-UHFFFAOYSA-N
TotalMolweight	362.408
Molweight	362.408
MonoisotopicMass	362.072513
CLogP	2.1835
CLogS	-6.659
H Acceptors	5
TotalSurfaceArea	274.73
Relative PSA	0.22586
PolarSurfaceArea	88.31
Druglikeness	-8.3704
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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