5-Tetracosylbenzene-1,3-diol
PubChem CID: 101843101
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-tetracosylbenzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 13.9 |
| Molecular Formula | C30H54O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIHUANQNBVIFHH-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.725 |
| Rotatable Bond Count | 23.0 |
| Logd | 3.168 |
| Compound Name | 5-Tetracosylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.412 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.412 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 446.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.000262000000001 |
| Inchi | InChI=1S/C30H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27-30(32)26-28/h25-27,31-32H,2-24H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients