2-Hydroxy-6-(10-phenyldecyl)benzoic acid
PubChem CID: 85998605
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-(10-phenyldecyl)benzoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 8.2 |
| Molecular Formula | C23H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZAFEDKVFOCUSD-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -4.166 |
| Rotatable Bond Count | 12.0 |
| Logd | 1.566 |
| Compound Name | 2-Hydroxy-6-(10-phenyldecyl)benzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 354.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.7470764615384615 |
| Inchi | InChI=1S/C23H30O3/c24-21-18-12-17-20(22(21)23(25)26)16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,12,14-15,17-18,24H,1-6,8,11,13,16H2,(H,25,26) |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCC2=C(C(=CC=C2)O)C(=O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients