N-Methylisosalsoline
PubChem CID: 40091
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| Compound Synonyms | N-Methylisosalsoline, AKOS004902054, 1,2-dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
|---|---|
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C12H17NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QFSVLNAGJRAZFV-MRVPVSSYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.561 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.636 |
| Compound Name | N-Methylisosalsoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 207.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 207.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5016422 |
| Inchi | InChI=1S/C12H17NO2/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m1/s1 |
| Smiles | C[C@@H]1C2=CC(=C(C=C2CCN1C)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients