(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID: 163074803
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C8H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVBVPQCRUAZHFR-HTQZYQBOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.136 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.342 |
| Compound Name | (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 157.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4085206000000002 |
| Inchi | InChI=1S/C8H15NO2/c10-6-8(11)3-5-9-4-1-2-7(8)9/h7,10-11H,1-6H2/t7-,8-/m1/s1 |
| Smiles | C1C[C@@H]2[C@@](CCN2C1)(CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heliotropium Curassavicum (Plant) Rel Props:Source_db:cmaup_ingredients