| MolName | (3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one |
| MolecularFormula | C19H15N3O5 |
| Smiles | [O-][N+](c1ccc(CO/N=C\CC(c2cc(-c3ccccc3)no2)=O)cc1)=O |
| InChI | InChI=1S/C19H15N3O5/c23-18(19-12-17(21-27-19)15-4-2-1-3-5-15)10-11-20-26-13-14-6-8-16(9-7-14)22(24)25/h1-9,11-12H,10,13H2 |
| InChIK | FYVVACJAZRBLSW-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 2.3819 |
| CLogS | -5.339 |
| H Acceptors | 8 |
| TotalSurfaceArea | 284.93 |
| Relative PSA | 0.31604 |
| PolarSurfaceArea | 110.51 |
| Druglikeness | -2.5454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one | 2 - (3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one