5-Heneicosenylresorcinol
PubChem CID: 129846337
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| Compound Synonyms | 5-heneicosenylresorcinol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-henicos-1-enylbenzene-1,3-diol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 11.9 |
| Is Pains | False |
| Molecular Formula | C27H46O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGPCTJAQZVDMOF-UHFFFAOYSA-N |
| Fcsp3 | 0.7037037037037037 |
| Rotatable Bond Count | 19.0 |
| Compound Name | 5-Heneicosenylresorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.35 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 402.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 402.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.707414048275863 |
| Inchi | InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h20-24,28-29H,2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC=CC1=CC(=CC(=C1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients