CID 499033
PubChem CID: 499033
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C10H4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFPXSIHTKUIYQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.867 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.391 |
| Compound Name | CID 499033 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.031 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.031 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5844803999999995 |
| Inchi | InChI=1S/C10H4/c1-2-5-9-7-4-8-10(9)6-3-1/h4-5,7-8H |
| Smiles | [CH]1[CH][C]2[CH][C]=[C][C]=[C][C]2[CH]1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Source_db:cmaup_ingredients