| MolName | [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C32H24N2O4 |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C32H24N2O4/c35-31(22-37-27-19-15-25(16-20-27)24-7-2-1-3-8-24)34-33-21-23-13-17-28(18-14-23)38-32(36)30-12-6-10-26-9-4-5-11-29(26)30/h1-21H,22H2,(H,34,35) |
| InChIK | MVZDHTLAWGFTBD-UHFFFAOYSA-N |
| TotalMolweight | 500.553 |
| Molweight | 500.553 |
| MonoisotopicMass | 500.173608 |
| CLogP | 7.0606 |
| CLogS | -8.663 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 392.62 |
| Relative PSA | 0.17587 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.9689 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate | 2 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate