2-hydroxy-N-[(Z)-quinoxalin-5-ylmethylideneamino]benzamide
Formula:C16H12N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-quinoxalin-5-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-quinoxalin-5-ylmethylideneamino]benzamide |
| MolecularFormula | C16H12N4O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cccc2nccnc12)=O |
| InChI | InChI=1S/C16H12N4O2/c21-14-7-2-1-5-12(14)16(22)20-19-10-11-4-3-6-13-15(11)18-9-8-17-13/h1-10,21H,(H,20,22) |
| InChIK | WXGUAYSHGZVODU-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 2.2935 |
| CLogS | -3.231 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 225.46 |
| Relative PSA | 0.31513 |
| PolarSurfaceArea | 87.47 |
| Druglikeness | 4.4204 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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