(3E)-3-[(3,4-dichlorophenyl)methylidene]pyrrolidin-2-one
Molecular Formula : C11H9NOCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[(3,4-dichlorophenyl)methylidene]pyrrolidin-2-one is a drug-like molecule.
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 : |