(10S)-10-methylheptadecanoic acid
PubChem CID: 124527303
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-10-methylheptadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C18H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQCDKBAXFALNLD-KRWDZBQOSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -5.753 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.091 |
| Compound Name | (10S)-10-methylheptadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6475007999999995 |
| Inchi | InChI=1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m0/s1 |
| Smiles | CCCCCCC[C@H](C)CCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bacopa Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients