3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
Formula:C15H10N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one |
| MolecularFormula | C15H10N4OClF |
| Smiles | O=C1Nc(cccc2)c2N=C1N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C15H10ClFN4O/c16-10-4-3-5-11(17)9(10)8-18-21-14-15(22)20-13-7-2-1-6-12(13)19-14/h1-8H,(H,19,21)(H,20,22) |
| InChIK | MILWYUDORQOMFO-UHFFFAOYSA-N |
| TotalMolweight | 316.722 |
| Molweight | 316.722 |
| MonoisotopicMass | 316.052716 |
| CLogP | 2.191 |
| CLogS | -4.707 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.69 |
| Relative PSA | 0.25678 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.3135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one | 2 - 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
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