CID 101415107
PubChem CID: 101415107
Connections displayed (default: 10).
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| Topological Polar Surface Area | 51.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C11H10O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UHKQQAVHSXDUBK-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.6 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.766 |
| Compound Name | CID 101415107 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.037692057142857005 |
| Inchi | InChI=1S/C11H10O2S/c1-9(14-2)5-3-6-10-7-4-8-11(12)13-10/h4,6-8H,1-2H3 |
| Smiles | CC(=C=C=CC1=CC=CC(=O)O1)SC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients