| MolName | 2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide |
| MolecularFormula | C23H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)cc1)=O |
| InChI | InChI=1S/C23H19N3O4/c27-22(25-24-17-7-8-18-13-15-21(16-14-18)26(29)30)23(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17,28H,(H,25,27) |
| InChIK | DTAHUHYRLMXRBK-UHFFFAOYSA-N |
| TotalMolweight | 401.421 |
| Molweight | 401.421 |
| MonoisotopicMass | 401.137557 |
| CLogP | 2.5786 |
| CLogS | -5.179 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 313.68 |
| Relative PSA | 0.25354 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | 0.38805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide | 2 - 2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide