14-Bromopentadecanoic acid
PubChem CID: 543912
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| Compound Synonyms | 14-Bromopentadecanoic acid, Pentadecanoic acid, 14-bromo-, 74685-41-9, 14-Bromopentadecanoic acid #, SCHEMBL23829849, DTXSID80337669, WRTRWKSMUPMRHR-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-bromopentadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C15H29BrO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRTRWKSMUPMRHR-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.831 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.075 |
| Compound Name | 14-Bromopentadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.135 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.135 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 321.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4831538 |
| Inchi | InChI=1S/C15H29BrO2/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h14H,2-13H2,1H3,(H,17,18) |
| Smiles | CC(CCCCCCCCCCCCC(=O)O)Br |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients