16Z-pentacosenoic acid
PubChem CID: 5312567
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| Compound Synonyms | 16Z-pentacosenoic acid, (Z)-pentacos-16-enoic acid, 16-Pentacosenoic acid, (Z)-, C25:1n-9, 140163-39-9, (z)-16-pentacosenoic acid, CHEBI:187923, LMFA01030418 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-pentacos-16-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 10.3 |
| Molecular Formula | C25H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIVQYKLZAIRQLU-KTKRTIGZSA-N |
| Fcsp3 | 0.88 |
| Logs | -2.973 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.095 |
| Compound Name | 16Z-pentacosenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 380.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.948973400000002 |
| Inchi | InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h9-10H,2-8,11-24H2,1H3,(H,26,27)/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Brandisiana (Plant) Rel Props:Source_db:cmaup_ingredients