7,8-dihydroxy-3-pyridin-2-ylchromen-4-one
Formula:C14H9NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7,8-dihydroxy-3-pyridin-2-ylchromen-4-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-3-pyridin-2-ylchromen-4-one |
| MolecularFormula | C14H9NO4 |
| Smiles | Oc(ccc1c2OC=C(c3ncccc3)C1=O)c2O |
| InChI | InChI=1S/C14H9NO4/c16-11-5-4-8-12(17)9(7-19-14(8)13(11)18)10-3-1-2-6-15-10/h1-7,16,18H |
| InChIK | SFCZHKMELUXZPR-UHFFFAOYSA-N |
| TotalMolweight | 255.228 |
| Molweight | 255.228 |
| MonoisotopicMass | 255.053159 |
| CLogP | 1.026 |
| CLogS | -2.252 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 183.44 |
| Relative PSA | 0.32823 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 0.088711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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