(1R,8R)-7-[deuterio(hydroxy)methyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
PubChem CID: 10855718
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,8R)-7-[deuterio(hydroxy)methyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C8H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJSJELVDQOXCHO-ZGMFALOXSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.685 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.111 |
| Compound Name | (1R,8R)-7-[deuterio(hydroxy)methyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.101 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 156.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.07024076897640014 |
| Inchi | InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1/i5D/t5?,7-,8- |
| Smiles | [2H]C(C1=CCN2[C@H]1[C@@H](CC2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynoglossum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients