3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]naphthalene-2-carboxamide
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H16N2O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C22H16N2O2/c25-21-13-17-8-2-1-7-16(17)12-20(21)22(26)24-23-14-18-10-5-9-15-6-3-4-11-19(15)18/h1-14,25H,(H,24,26) |
| InChIK | CWCQMJNJIVDKKV-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 5.2447 |
| CLogS | -6.637 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 262.54 |
| Relative PSA | 0.18706 |
| 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 | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| StereoCon |
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