3,3-diazido-1H-quinoline-2,4-dione
Formula:C9H5N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,3-diazido-1H-quinoline-2,4-dione is a drug-like molecule.
| MolName | 3,3-diazido-1H-quinoline-2,4-dione |
| MolecularFormula | C9H5N7O2 |
| Smiles | [N-]=[N+]=NC(C(c(cccc1)c1N1)=O)(C1=O)N=[N+]=[N-] |
| InChI | InChI=1S/C9H5N7O2/c10-15-13-9(14-16-11)7(17)5-3-1-2-4-6(5)12-8(9)18/h1-4H,(H,12,18) |
| InChIK | NOCWFGDPAHAVFT-UHFFFAOYSA-N |
| TotalMolweight | 243.186 |
| Molweight | 243.186 |
| MonoisotopicMass | 243.050473 |
| CLogP | -0.2399 |
| CLogS | -2.404 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 178.41 |
| Relative PSA | 0.62956 |
| PolarSurfaceArea | 98.09 |
| Druglikeness | 2.9666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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