3-[(2Z)-2-benzylidenehydrazinyl]-1H-quinoxalin-2-one
Formula:C15H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-benzylidenehydrazinyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(2Z)-2-benzylidenehydrazinyl]-1H-quinoxalin-2-one |
| MolecularFormula | C15H12N4O |
| Smiles | O=C1Nc(cccc2)c2N=C1N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12N4O/c20-15-14(17-12-8-4-5-9-13(12)18-15)19-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,19)(H,18,20) |
| InChIK | BJJPBBSWHJSMDG-UHFFFAOYSA-N |
| TotalMolweight | 264.287 |
| Molweight | 264.287 |
| MonoisotopicMass | 264.101111 |
| CLogP | 1.4842 |
| CLogS | -3.657 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.92 |
| Relative PSA | 0.28367 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 4.6345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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