3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C18H14N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C18H14N2O2 |
| Smiles | Oc1cccc(C(N/N=C\c2cccc3ccccc23)=O)c1 |
| InChI | InChI=1S/C18H14N2O2/c21-16-9-4-7-14(11-16)18(22)20-19-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-12,21H,(H,20,22) |
| InChIK | HCZPCFMHDMEKTI-UHFFFAOYSA-N |
| TotalMolweight | 290.321 |
| Molweight | 290.321 |
| MonoisotopicMass | 290.105528 |
| CLogP | 4.0503 |
| CLogS | -5.031 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.94 |
| Relative PSA | 0.21545 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.4204 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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