3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
Formula:C15H11N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is a drug-like molecule.
| MolName | 3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one |
| MolecularFormula | C15H11N4OCl |
| Smiles | O=C1Nc(cccc2)c2N=C1N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11ClN4O/c16-11-7-5-10(6-8-11)9-17-20-14-15(21)19-13-4-2-1-3-12(13)18-14/h1-9H,(H,18,20)(H,19,21) |
| InChIK | BCNKQVYPXHMSLJ-UHFFFAOYSA-N |
| TotalMolweight | 298.732 |
| Molweight | 298.732 |
| MonoisotopicMass | 298.062138 |
| CLogP | 2.0902 |
| CLogS | -4.393 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 223.34 |
| Relative PSA | 0.26408 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 4.6535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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