(10S)-10-methyloctadecanoic acid
PubChem CID: 92854580
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-10-methyloctadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C19H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEOUGZFCUMNGOU-SFHVURJKSA-N |
| Fcsp3 | 0.9473684210526316 |
| Logs | -6.019 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.153 |
| Compound Name | (10S)-10-methyloctadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.008668199999999 |
| Inchi | InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)/t18-/m0/s1 |
| Smiles | CCCCCCCC[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