CID 54732694
PubChem CID: 54732694
Connections displayed (default: 10).
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| Topological Polar Surface Area | 59.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C4H4NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPQNVDZMLDAKNR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.628 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.22 |
| Compound Name | CID 54732694 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.019 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 114.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5979959999999999 |
| Inchi | InChI=1S/C4H4NO3/c1-2(6)3(5)4(7)8/h5H,1H3 |
| Smiles | CC(=O)C(=N)C(=O)[O] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients