2-Methoxyaporphine
PubChem CID: 71716168
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| Compound Synonyms | 2-methoxyaporphine, CHEMBL2316503 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVNXQKRQDGRTSE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.875 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.384 |
| Compound Name | 2-Methoxyaporphine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 265.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7406072000000004 |
| Inchi | InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3 |
| Smiles | CN1CCC2=C3C1CC4=CC=CC=C4C3=CC(=C2)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all