(3E)-3-[(4,5-dichloro-2-nitrophenyl)methylidene]oxolan-2-one
Molecular Formula : C11H7NO4Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[(4,5-dichloro-2-nitrophenyl)methylidene]oxolan-2-one is a drug-like molecule.
MolName : (3E)-3-[(4,5-dichloro-2-nitrophenyl)methylidene]oxolan-2-one |
MolecularFormula : C11H7NO4Cl2 |
Smiles : [O-][N+](c(c(/C=C(\CCO1)/C1=O)c1)cc(Cl)c1Cl)=O |
InChI : InChI=1S/C11H7Cl2NO4/c12-8-4-7(3-6-1-2-18-11(6)15)10(14(16)17)5-9(8)13/h3-5H,1-2H2 |
InChIK : UZHPYJZUNXVQLB-UHFFFAOYSA-N |
TotalMolweight : 288.086 |
Molweight : 288.086 |
MonoisotopicMass : 286.975213 |
CLogP : 2.0174 |
CLogS : -4.299 |
H Acceptors : 5 |
TotalSurfaceArea : 194.25 |
Relative PSA : 0.27521 |
PolarSurfaceArea : 72.12 |
Druglikeness : -4.5438 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
AcidicOxygens : 1 |
StereoCon : |