6,9-Dihydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one
PubChem CID: 135908714
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1077856 |
|---|---|
| Topological Polar Surface Area | 79.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,9-dihydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEWGKRJMANHDTQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.65 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.101 |
| Compound Name | 6,9-Dihydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 257.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2222874210526316 |
| Inchi | InChI=1S/C14H11NO4/c1-6-3-4-15-12-9(6)14(18)10-7(16)5-8(19-2)13(17)11(10)12/h3-5,16-17H,1-2H3 |
| Smiles | CC1=C2C(=NC=C1)C3=C(C2=O)C(=CC(=C3O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mitrephora Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients