2-[2-[(2S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol
PubChem CID: 20054873
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| Compound Synonyms | Cinchonamine, 482-28-0, 2-[2-[(2S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol, Cinchonamin, SCHEMBL178054, DTXSID90878432, NS00042350 |
|---|---|
| Topological Polar Surface Area | 39.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[2-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H24N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YAUKSCGKZYUZRH-LWINWCPBSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.902 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.895 |
| Compound Name | 2-[2-[(2S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5749940727272724 |
| Inchi | InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14?,18-/m0/s1 |
| Smiles | C=C[C@H]1CN2CCC1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients