(3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one
Molecular Formula : C12H10N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one is a drug-like molecule.
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 : |