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C11H9NOCl2 | Cheminformatics

(3E)-3-[(3,4-dichlorophenyl)methylidene]pyrrolidin-2-one

Molecular Formula : C11H9NOCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (3E)-3-[(3,4-dichlorophenyl)methylidene]pyrrolidin-2-one

MolecularFormula : C11H9NOCl2

Smiles : O=C1NCC/C1=C\c(cc1)cc(Cl)c1Cl

InChI : InChI=1S/C11H9Cl2NO/c12-9-2-1-7(6-10(9)13)5-8-3-4-14-11(8)15/h1-2,5-6H,3-4H2,(H,14,15)

InChIK : GZPIZOPMTYGLCF-UHFFFAOYSA-N

TotalMolweight : 242.104

Molweight : 242.104

MonoisotopicMass : 241.006118

CLogP : 2.7955

CLogS : -3.703

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 172.04

Relative PSA : 0.14241

PolarSurfaceArea : 29.1

Druglikeness : 3.5972

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Amides : 1

StereoCon :

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