2,3,7-Trihydroxyphenazine-1,6-dicarboxylic acid
PubChem CID: 136341759
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL3724682 |
|---|---|
| Topological Polar Surface Area | 161.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,7-trihydroxyphenazine-1,6-dicarboxylic acid |
| Prediction Hob | 0.0 |
| Xlogp | 1.7 |
| Molecular Formula | C14H8N2O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQRXDNACUSPCGR-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.694 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.374 |
| Compound Name | 2,3,7-Trihydroxyphenazine-1,6-dicarboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.033 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.033 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 316.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2026297826086956 |
| Inchi | InChI=1S/C14H8N2O7/c17-6-2-1-4-10(8(6)13(20)21)16-5-3-7(18)12(19)9(14(22)23)11(5)15-4/h1-3,17-19H,(H,20,21)(H,22,23) |
| Smiles | C1=CC2=NC3=C(C(=C(C=C3N=C2C(=C1O)C(=O)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