(2R)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoic acid
PubChem CID: 162885142
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C19H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZUZRSAWJTGDYAK-FGTMMUONSA-N |
| Fcsp3 | 0.9473684210526316 |
| Logs | -3.737 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.428 |
| Compound Name | (2R)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.329762799999999 |
| Inchi | InChI=1S/C19H36O3/c1-2-3-4-9-12-16-15-17(16)13-10-7-5-6-8-11-14-18(20)19(21)22/h16-18,20H,2-15H2,1H3,(H,21,22)/t16-,17+,18-/m1/s1 |
| Smiles | CCCCCC[C@@H]1C[C@@H]1CCCCCCCC[C@H](C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Fistula (Plant) Rel Props:Source_db:cmaup_ingredients