[1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C25H18N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C25H18N2O4 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C25H18N2O4/c28-20-13-10-18(11-14-20)24(29)27-26-16-22-21-9-5-4-6-17(21)12-15-23(22)31-25(30)19-7-2-1-3-8-19/h1-16,28H,(H,27,29) |
| InChIK | MRCPSJBOMVMHPN-UHFFFAOYSA-N |
| TotalMolweight | 410.428 |
| Molweight | 410.428 |
| MonoisotopicMass | 410.126658 |
| CLogP | 5.4808 |
| CLogS | -6.501 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 315.45 |
| Relative PSA | 0.22872 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 3.9978 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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