[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2-naphthalen-1-ylacetate
Formula:C26H20N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2-naphthalen-1-ylacetate is not a drug-like molecule.
| MolName | [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2-naphthalen-1-ylacetate |
| MolecularFormula | C26H20N2O3 |
| Smiles | O=C(Cc1cccc2ccccc12)Oc1ccc(/C=N\NC(c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C26H20N2O3/c29-25(17-22-11-6-10-20-7-4-5-12-24(20)22)31-23-15-13-19(14-16-23)18-27-28-26(30)21-8-2-1-3-9-21/h1-16,18H,17H2,(H,28,30) |
| InChIK | ZONASRDACNOWPR-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 | 2.6769 |
| Mutagenic | high |
| 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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1 - [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2-naphthalen-1-ylacetate | 2 - [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2-naphthalen-1-ylacetate
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