| MolName | (2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide |
| MolecularFormula | C18H13N6O3Cl3 |
| Smiles | NC(N/N=C(/CC1=Nc(ccc(Cl)c2)c2NC1=O)\C(Nc(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C18H13Cl3N6O3/c19-8-1-3-11(10(21)5-8)24-17(29)15(26-27-18(22)30)7-14-16(28)25-13-6-9(20)2-4-12(13)23-14/h1-6H,7H2,(H,24,29)(H,25,28)(H3,22,27,30) |
| InChIK | QYSOUBGSALGQIK-UHFFFAOYSA-N |
| TotalMolweight | 467.699 |
| Molweight | 467.699 |
| MonoisotopicMass | 466.01147 |
| CLogP | 2.0642 |
| CLogS | -6.26 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 321.63 |
| Relative PSA | 0.34757 |
| PolarSurfaceArea | 138.04 |
| Druglikeness | 5.8483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 3 |
| StereoCon |
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1 - (2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide | 2 - (2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide