Azanium
PubChem CID: 5351505
Connections displayed (default: 10).
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| Topological Polar Surface Area | 67.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | azanium, 9-oxoxanthene-4-carboxylate |
| Prediction Hob | 1.0 |
| Molecular Formula | C14H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLBSEHQQUZRZPS-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.451 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.008 |
| Compound Name | Azanium, 9-oxoxanthene-4-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 257.24 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9267821578947362 |
| Inchi | InChI=1S/C14H8O4.H3N/c15-12-8-4-1-2-7-11(8)18-13-9(12)5-3-6-10(13)14(16)17, /h1-7H,(H,16,17), 1H3 |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)C(=O)[O-].[NH4+] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients