CID 6324998
PubChem CID: 6324998
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KCADUUDDTBWILK-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.489 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.281 |
| Compound Name | CID 6324998 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5073655999999995 |
| Inchi | InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h4,7-8H,2-3H2,1H3 |
| Smiles | CCCC=C=C=C1C=CC(=O)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conyza Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients