2,6-Dihydroxyphenazine-1-carboxylic acid
PubChem CID: 136341707
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL3721381 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dihydroxyphenazine-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C13H8N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRVVINAWMQTPMH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.368 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.074 |
| Compound Name | 2,6-Dihydroxyphenazine-1-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 256.209 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1678085578947366 |
| Inchi | InChI=1S/C13H8N2O4/c16-8-5-4-7-12(10(8)13(18)19)15-6-2-1-3-9(17)11(6)14-7/h1-5,16-17H,(H,18,19) |
| Smiles | C1=CC2=C(C(=C1)O)N=C3C=CC(=C(C3=N2)C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients