N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-hydroxybenzamide
Formula:C20H16N2O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C20H16N2O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1ccc(CC2)c3c2cccc13)=O |
| InChI | InChI=1S/C20H16N2O2/c23-18-7-2-1-5-17(18)20(24)22-21-12-15-11-10-14-9-8-13-4-3-6-16(15)19(13)14/h1-7,10-12,23H,8-9H2,(H,22,24) |
| InChIK | GGRCNACEULPDHO-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 4.5231 |
| CLogS | -5.583 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 241.96 |
| Relative PSA | 0.20297 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.2338 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-hydroxybenzamide
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