(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
Molecular Formula : C16H8N2O4Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.
MolName : (4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one |
MolecularFormula : C16H8N2O4Cl2 |
Smiles : [O-][N+](c1cccc(C(OC2=O)=N/C2=C/c(cc2)cc(Cl)c2Cl)c1)=O |
InChI : InChI=1S/C16H8Cl2N2O4/c17-12-5-4-9(6-13(12)18)7-14-16(21)24-15(19-14)10-2-1-3-11(8-10)20(22)23/h1-8H |
InChIK : AAQDYPLUMLTCBE-UHFFFAOYSA-N |
TotalMolweight : 363.156 |
Molweight : 363.156 |
MonoisotopicMass : 361.986112 |
CLogP : 2.8822 |
CLogS : -5.851 |
H Acceptors : 6 |
TotalSurfaceArea : 249.46 |
Relative PSA : 0.26044 |
PolarSurfaceArea : 84.48 |
Druglikeness : -4.0702 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.58333 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
AcidicOxygens : 1 |
StereoCon : |