2,3,4-Trihydroxyphenazine-1-carboxylic acid
PubChem CID: 135967768
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL3725569 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4-trihydroxyphenazine-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C13H8N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIPXTPAPLDJRFC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.031 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.246 |
| Compound Name | 2,3,4-Trihydroxyphenazine-1-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 272.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0192391999999995 |
| Inchi | InChI=1S/C13H8N2O5/c16-10-7(13(19)20)8-9(11(17)12(10)18)15-6-4-2-1-3-5(6)14-8/h1-4,16-18H,(H,19,20) |
| Smiles | C1=CC=C2C(=C1)N=C3C(=C(C(=C(C3=N2)O)O)O)C(=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 Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients