2-hydroxy-N-[(Z)-quinolin-6-ylmethylideneamino]benzamide
Formula:C17H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-quinolin-6-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-quinolin-6-ylmethylideneamino]benzamide |
| MolecularFormula | C17H13N3O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cc2cccnc2cc1)=O |
| InChI | InChI=1S/C17H13N3O2/c21-16-6-2-1-5-14(16)17(22)20-19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-11,21H,(H,20,22) |
| InChIK | SJHAOFRPBUJQDE-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 3.1719 |
| CLogS | -4.131 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 226.7 |
| Relative PSA | 0.26502 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.4204 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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