Octacosyl (z)-p-coumarate
PubChem CID: 101915969
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| Compound Synonyms | octacosyl (z)-p-coumarate |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 16.1 |
| Molecular Formula | C37H64O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWHBUKZWMZSTEA-MEIHLTSWSA-N |
| Fcsp3 | 0.7567567567567568 |
| Logs | -7.372 |
| Rotatable Bond Count | 30.0 |
| Logd | 4.874 |
| Compound Name | Octacosyl (z)-p-coumarate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 556.486 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 556.486 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 556.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -11.560579200000003 |
| Inchi | InChI=1S/C37H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-40-37(39)33-30-35-28-31-36(38)32-29-35/h28-33,38H,2-27,34H2,1H3/b33-30- |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients