[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate
Formula:C28H21N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate |
| MolecularFormula | C28H21N3O6 |
| Smiles | [O-][N+](c(cc(/C=N\NC(C(c1ccccc1)(c1ccccc1)O)=O)cc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H21N3O6/c32-26(21-10-4-1-5-11-21)37-25-17-16-20(18-24(25)31(35)36)19-29-30-27(33)28(34,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,34H,(H,30,33) |
| InChIK | AIJVRFCYZNPEPR-UHFFFAOYSA-N |
| TotalMolweight | 495.49 |
| Molweight | 495.49 |
| MonoisotopicMass | 495.143037 |
| CLogP | 3.9908 |
| CLogS | -6.357 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 374.69 |
| Relative PSA | 0.27375 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | 0.11315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate | 2 - [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenyl] benzoate
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