Phlegmariuine N
PubChem CID: 195484
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| Compound Synonyms | 5,7-dimethylquinolin-6-ol, Phlegmariuine N, 126552-19-0, Phlegmariuine-N, DTXSID50155211, DTXCID2077702 |
|---|---|
| Topological Polar Surface Area | 33.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethylquinolin-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHRDWPWBNUKKAS-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.005 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.889 |
| Compound Name | Phlegmariuine N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 173.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.095963769230769 |
| Inchi | InChI=1S/C11H11NO/c1-7-6-10-9(4-3-5-12-10)8(2)11(7)13/h3-6,13H,1-2H3 |
| Smiles | CC1=CC2=C(C=CC=N2)C(=C1O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients