N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C24H18N2O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C24H18N2O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1ccc(CC2)c3c2cccc13)=O |
| InChI | InChI=1S/C24H18N2O2/c27-22-13-18-5-2-1-4-17(18)12-21(22)24(28)26-25-14-19-11-10-16-9-8-15-6-3-7-20(19)23(15)16/h1-7,10-14,27H,8-9H2,(H,26,28) |
| InChIK | LBNRHHISODSXMN-UHFFFAOYSA-N |
| TotalMolweight | 366.419 |
| Molweight | 366.419 |
| MonoisotopicMass | 366.136828 |
| CLogP | 5.7175 |
| CLogS | -7.189 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 276.56 |
| Relative PSA | 0.17757 |
| 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 | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
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