7-hydroxy-6-methoxy-2H-isoquinolin-1-one
PubChem CID: 12148518
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-methoxy-2H-isoquinolin-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYEIJLABMZNYGQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.52 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.371 |
| Compound Name | 7-hydroxy-6-methoxy-2H-isoquinolin-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 191.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 191.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 191.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5589246285714284 |
| Inchi | InChI=1S/C10H9NO3/c1-14-9-4-6-2-3-11-10(13)7(6)5-8(9)12/h2-5,12H,1H3,(H,11,13) |
| Smiles | COC1=C(C=C2C(=C1)C=CNC2=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients