N'-[(Z)-quinolin-6-ylmethylideneamino]oxamide
Formula:C12H10N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-quinolin-6-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-quinolin-6-ylmethylideneamino]oxamide |
| MolecularFormula | C12H10N4O2 |
| Smiles | NC(C(N/N=C\c1cc2cccnc2cc1)=O)=O |
| InChI | InChI=1S/C12H10N4O2/c13-11(17)12(18)16-15-7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H2,13,17)(H,16,18) |
| InChIK | IVMLMYHDLUIWGD-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 0.3997 |
| CLogS | -2.808 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 186.86 |
| Relative PSA | 0.40292 |
| PolarSurfaceArea | 97.44 |
| Druglikeness | 2.2506 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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