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C11H11NO2 | Cheminformatics
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(3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one

Molecular Formula : C11H11NO2 | Mutagenic : low | Tumorigenic : low | Reproductive Effective : none |
(3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one is a drug-like molecule.

MolName : (3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one

MolecularFormula : C11H11NO2

Smiles : Nc1ccc(/C=C(\CCO2)/C2=O)cc1

InChI : InChI=1S/C11H11NO2/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7H,5-6,12H2

InChIK : QHORWUVDDBIDJI-UHFFFAOYSA-N

TotalMolweight : 189.213

Molweight : 189.213

MonoisotopicMass : 189.078979

CLogP : 1.0497

CLogS : -2.443

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 148.26

Relative PSA : 0.2584

PolarSurfaceArea : 52.32

Druglikeness : 0.50939

Mutagenic : low

Tumorigenic : low

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 2

Amines : 1

Aromatic Amines : 1

StereoCon :

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