2-[(3-nitropyridin-2-yl)amino]pyridin-3-ol
Formula:C10H8N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-nitropyridin-2-yl)amino]pyridin-3-ol is a drug-like molecule.
| MolName | 2-[(3-nitropyridin-2-yl)amino]pyridin-3-ol |
| MolecularFormula | C10H8N4O3 |
| Smiles | [O-][N+](c1c(Nc2ncccc2O)nccc1)=O |
| InChI | InChI=1S/C10H8N4O3/c15-8-4-2-6-12-10(8)13-9-7(14(16)17)3-1-5-11-9/h1-6,15H,(H,11,12,13) |
| InChIK | MVLWKGNAOGDLLJ-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | 0.4533 |
| CLogS | -2.818 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 172.02 |
| Relative PSA | 0.44716 |
| PolarSurfaceArea | 103.86 |
| Druglikeness | -6.2826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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