16Z-tricosenoic acid
PubChem CID: 5312563
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| Compound Synonyms | 16Z-tricosenoic acid, C23:1n-7, (z)-16-tricosenoic acid, WJUFVBCUBJGBER-FPLPWBNLSA-N, LMFA01030414 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-tricos-16-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 9.2 |
| Molecular Formula | C23H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJUFVBCUBJGBER-FPLPWBNLSA-N |
| Fcsp3 | 0.8695652173913043 |
| Logs | -3.066 |
| Rotatable Bond Count | 20.0 |
| Logd | 4.012 |
| Compound Name | 16Z-tricosenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 352.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.226638600000001 |
| Inchi | InChI=1S/C23H44O2/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/h7-8H,2-6,9-22H2,1H3,(H,24,25)/b8-7- |
| Smiles | CCCCCC/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