[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C30H22N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C30H22N2O4 |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H22N2O4/c33-29(20-35-27-16-8-13-21-9-5-7-15-25(21)27)32-31-19-26-24-14-6-4-10-22(24)17-18-28(26)36-30(34)23-11-2-1-3-12-23/h1-19H,20H2,(H,32,33) |
| InChIK | VTSGRPATXBKDCY-UHFFFAOYSA-N |
| TotalMolweight | 474.515 |
| Molweight | 474.515 |
| MonoisotopicMass | 474.157958 |
| CLogP | 6.5958 |
| CLogS | -8.183 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 367.46 |
| Relative PSA | 0.18791 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.9689 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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