[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C26H20N2O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C26H20N2O3 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C26H20N2O3/c29-25(17-19-7-2-1-3-8-19)28-27-18-20-13-15-22(16-14-20)31-26(30)24-12-6-10-21-9-4-5-11-23(21)24/h1-16,18H,17H2,(H,28,29) |
| InChIK | VNRCFHZYBXTFAA-UHFFFAOYSA-N |
| TotalMolweight | 408.456 |
| Molweight | 408.456 |
| MonoisotopicMass | 408.147393 |
| CLogP | 5.8246 |
| CLogS | -6.762 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.86 |
| Relative PSA | 0.1829 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.029 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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