[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
Formula:C25H18N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C25H18N2O3 |
| Smiles | O=C(c1ccccc1)N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C25H18N2O3/c28-24(19-10-3-1-4-11-19)27-26-17-22-21-14-8-7-9-18(21)15-16-23(22)30-25(29)20-12-5-2-6-13-20/h1-17H,(H,27,28) |
| InChIK | MDQRCAWGSZJNMK-UHFFFAOYSA-N |
| TotalMolweight | 394.429 |
| Molweight | 394.429 |
| MonoisotopicMass | 394.131743 |
| CLogP | 5.8265 |
| CLogS | -6.797 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.1 |
| Relative PSA | 0.19104 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 3.9976 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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