| MolName | 2-hydroxy-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C28H23N3O5 |
| Smiles | [O-][N+](c1ccc(COc2cc(/C=N\NC(C(c3ccccc3)(c3ccccc3)O)=O)ccc2)cc1)=O |
| InChI | InChI=1S/C28H23N3O5/c32-27(28(33,23-9-3-1-4-10-23)24-11-5-2-6-12-24)30-29-19-22-8-7-13-26(18-22)36-20-21-14-16-25(17-15-21)31(34)35/h1-19,33H,20H2,(H,30,32) |
| InChIK | RGWBNNNQCWPMMZ-UHFFFAOYSA-N |
| TotalMolweight | 481.507 |
| Molweight | 481.507 |
| MonoisotopicMass | 481.163772 |
| CLogP | 3.9084 |
| CLogS | -6.228 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 370.7 |
| Relative PSA | 0.24152 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | 0.056667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide | 2 - 2-hydroxy-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide