9-Hydroxy-3-methoxy-6h-pyrido[1,2-a]pyrazin-6-one
PubChem CID: 136987006
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| Compound Synonyms | CHEMBL3314712, 9-hydroxy-3-methoxy-6h-pyrido[1,2-a]pyrazin-6-one |
|---|---|
| Topological Polar Surface Area | 62.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-3-methoxypyrido[1,2-a]pyrazin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C9H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATJLTTDKKHOYFB-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.717 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.744 |
| Compound Name | 9-Hydroxy-3-methoxy-6h-pyrido[1,2-a]pyrazin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8989502285714286 |
| Inchi | InChI=1S/C9H8N2O3/c1-14-8-5-11-6(4-10-8)7(12)2-3-9(11)13/h2-5,12H,1H3 |
| Smiles | COC1=CN2C(=O)C=CC(=C2C=N1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients