Hexacosyl (z)-p-coumarate
PubChem CID: 129685588
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| Compound Synonyms | hexacosyl (z)-p-coumarate |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 521.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexacosyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 15.0 |
| Molecular Formula | C35H60O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZCAUZSZQPVKQY-PNOGMODKSA-N |
| Fcsp3 | 0.7428571428571429 |
| Logs | -7.237 |
| Rotatable Bond Count | 28.0 |
| Logd | 4.778 |
| Compound Name | Hexacosyl (z)-p-coumarate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 528.454 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 528.454 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 528.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -10.84408650526316 |
| Inchi | InChI=1S/C35H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-35(37)31-28-33-26-29-34(36)30-27-33/h26-31,36H,2-25,32H2,1H3/b31-28- |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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