(2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol
PubChem CID: 10355120
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| Topological Polar Surface Area | 33.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H23NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | YCYQVMYJYZMCJE-RJFWQOCHSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -1.872 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.071 |
| Compound Name | (2S,4E,6E,11E)-12-pyridin-3-yldodeca-4,6,11-trien-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 257.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 257.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.5417216105263156 |
| Inchi | InChI=1S/C17H23NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h2,4,6,8-10,12-16,19H,3,5,7,11H2,1H3/b4-2+,8-6+,12-9+/t16-/m0/s1 |
| Smiles | C[C@@H](C/C=C/C=C/CCC/C=C/C1=CN=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Japonica (Plant) Rel Props:Source_db:cmaup_ingredients