CID 53630748
PubChem CID: 53630748
Connections displayed (default: 10).
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| Topological Polar Surface Area | 18.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C3H4ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDPCRKJKTLQEFI-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.327 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.348 |
| Compound Name | CID 53630748 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.99 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.99 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.51 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3241992 |
| Inchi | InChI=1S/C3H4ClO2/c4-1-3(6)2-5/h1-2H2 |
| Smiles | C(C(=O)CCl)[O] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients