2-Methoxy-6-undecyl-1,4-benzoquinone
PubChem CID: 44559530
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-methoxy-6-undecyl-1,4-benzoquinone, CHEMBL469433, BDBM50555910 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05979, P35354, P09917 |
| Iupac Name | 2-methoxy-6-undecylcyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Target Id | NPT31, NPT570 |
| Xlogp | 5.9 |
| Molecular Formula | C18H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LRYVDYNQYBMNJP-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.476 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.37 |
| Compound Name | 2-Methoxy-6-undecyl-1,4-benzoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6376978 |
| Inchi | InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-11-12-15-13-16(19)14-17(21-2)18(15)20/h13-14H,3-12H2,1-2H3 |
| Smiles | CCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegiceras Corniculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all