2-(7,8-dihydroxy-2-oxochromen-4-yl)acetamide
Formula:C11H9NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(7,8-dihydroxy-2-oxochromen-4-yl)acetamide is a drug-like molecule.
| MolName | 2-(7,8-dihydroxy-2-oxochromen-4-yl)acetamide |
| MolecularFormula | C11H9NO5 |
| Smiles | NC(CC(c(c(O1)c2O)ccc2O)=CC1=O)=O |
| InChI | InChI=1S/C11H9NO5/c12-8(14)3-5-4-9(15)17-11-6(5)1-2-7(13)10(11)16/h1-2,4,13,16H,3H2,(H2,12,14) |
| InChIK | OGRFXFDQCHCSMM-UHFFFAOYSA-N |
| TotalMolweight | 235.194 |
| Molweight | 235.194 |
| MonoisotopicMass | 235.048074 |
| CLogP | -0.3355 |
| CLogS | -1.328 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 164.95 |
| Relative PSA | 0.47014 |
| PolarSurfaceArea | 109.85 |
| Druglikeness | -1.4643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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