4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
Formula:C29H23N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C29H23N2O5 |
| Smiles | [O-]C(c1ccc(COc2ccc(/C=N\NC(C(c3ccccc3)(c3ccccc3)O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C29H24N2O5/c32-27(33)23-15-11-22(12-16-23)20-36-26-17-13-21(14-18-26)19-30-31-28(34)29(35,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-19,35H,20H2,(H,31,34)(H,32,33)/p-1 |
| InChIK | FZSOUJGGGNBKTP-UHFFFAOYSA-M |
| TotalMolweight | 479.511 |
| Molweight | 479.511 |
| MonoisotopicMass | 479.160698 |
| CLogP | 2.2391 |
| CLogS | -5.781 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 372.31 |
| Relative PSA | 0.23215 |
| PolarSurfaceArea | 111.05 |
| Druglikeness | 5.2031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate | 2 - 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
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