[4-[(Z)-[(2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H22N2O3 |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H22N2O3/c31-27(26(22-10-4-1-5-11-22)23-12-6-2-7-13-23)30-29-20-21-16-18-25(19-17-21)33-28(32)24-14-8-3-9-15-24/h1-20,26H,(H,30,31) |
| InChIK | IEQUIWFRSAASGD-UHFFFAOYSA-N |
| TotalMolweight | 434.494 |
| Molweight | 434.494 |
| MonoisotopicMass | 434.163043 |
| CLogP | 6.1578 |
| CLogS | -6.305 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.76 |
| Relative PSA | 0.17029 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.7361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| StereoCon |
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