3,5-Dihydroxy-2-tridecylbenzoic acid
PubChem CID: 14462118
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL520177 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-2-tridecylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 7.5 |
| Molecular Formula | C20H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZQEUSILVHHMGIF-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.144 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.563 |
| Compound Name | 3,5-Dihydroxy-2-tridecylbenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9718263999999985 |
| Inchi | InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(20(23)24)14-16(21)15-19(17)22/h14-15,21-22H,2-13H2,1H3,(H,23,24) |
| Smiles | CCCCCCCCCCCCCC1=C(C=C(C=C1O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients