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C12H10N2O3 | Cheminformatics

(3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one

Molecular Formula : C12H10N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one

MolecularFormula : C12H10N2O3

Smiles : O=C1OCC/C1=C1\Nc(cccc2)c2NC1=O

InChI : InChI=1S/C12H10N2O3/c15-11-10(7-5-6-17-12(7)16)13-8-3-1-2-4-9(8)14-11/h1-4,13H,5-6H2,(H,14,15)

InChIK : OMVLKWMHXHNOKC-UHFFFAOYSA-N

TotalMolweight : 230.222

Molweight : 230.222

MonoisotopicMass : 230.069143

CLogP : -0.184

CLogS : -2.457

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 165.12

Relative PSA : 0.35732

PolarSurfaceArea : 67.43

Druglikeness : 2.5796

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 5

Electronegative Atoms : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Amides : 1

StereoCon :

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