[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Formula:C28H21N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C28H21N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1cc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)ccc1)=O)=O |
| InChI | InChI=1S/C28H21N3O6/c32-26(21-14-16-24(17-15-21)31(35)36)37-25-13-7-8-20(18-25)19-29-30-27(33)28(34,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-19,34H,(H,30,33) |
| InChIK | WWZGMDBGQXBRRT-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 | 0.54054 |
| 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 - [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
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