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C11H11NO | Cheminformatics
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(3E)-3-benzylidenepyrrolidin-2-one

Molecular Formula : C11H11NO | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(3E)-3-benzylidenepyrrolidin-2-one is a drug-like molecule.

MolName : (3E)-3-benzylidenepyrrolidin-2-one

MolecularFormula : C11H11NO

Smiles : O=C1NCC/C1=C\c1ccccc1

InChI : InChI=1S/C11H11NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)

InChIK : OMARMBRFLQVQJA-UHFFFAOYSA-N

TotalMolweight : 173.214

Molweight : 173.214

MonoisotopicMass : 173.084064

CLogP : 1.5835

CLogS : -2.231

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 141.2

Relative PSA : 0.17351

PolarSurfaceArea : 29.1

Druglikeness : 3.5432

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 2

Electronegative Atoms : 2

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

StereoCon :

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