(3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one
Molecular Formula : C11H9NO2Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one is a drug-like molecule.
MolName : (3E)-3-[(2-amino-4,5-dichlorophenyl)methylidene]oxolan-2-one |
MolecularFormula : C11H9NO2Cl2 |
Smiles : Nc(c(/C=C(\CCO1)/C1=O)c1)cc(Cl)c1Cl |
InChI : InChI=1S/C11H9Cl2NO2/c12-8-4-7(10(14)5-9(8)13)3-6-1-2-16-11(6)15/h3-5H,1-2,14H2 |
InChIK : ILNUBRZJHSPGMZ-UHFFFAOYSA-N |
TotalMolweight : 258.103 |
Molweight : 258.103 |
MonoisotopicMass : 257.001033 |
CLogP : 2.2617 |
CLogS : -3.915 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 179.1 |
Relative PSA : 0.2139 |
PolarSurfaceArea : 52.32 |
Druglikeness : 0.61393 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 3 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |