Azanium
PubChem CID: 21799765
Connections displayed (default: 10).
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| Compound Synonyms | azanium, hydron, propanedioate, SCHEMBL9571080 |
|---|---|
| Topological Polar Surface Area | 81.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | azanium, hydron, propanedioate |
| Prediction Hob | 1.0 |
| Molecular Formula | C3H7NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEYGYQDRKHISNT-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.455 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.574 |
| Compound Name | Azanium, hydron, propanedioate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 121.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 121.09 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.9478296000000004 |
| Inchi | InChI=1S/C3H4O4.H3N/c4-2(5)1-3(6)7, /h1H2,(H,4,5)(H,6,7), 1H3 |
| Smiles | [H+].C(C(=O)[O-])C(=O)[O-].[NH4+] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alchornea Trewioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aleurites Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mallotus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients