Phenazine-1,6-dicarboxylic acid
PubChem CID: 193025
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| Compound Synonyms | Phenazine-1,6-dicarboxylic acid, 23462-25-1, 1,6-Phenazinedicarboxylic acid, Phenazine-1,6-dicarboxylate, 1,6-Phenazinedicarboxylicacid, CHEBI:70231, ACMC-20d4iy, MFCD00182804, SCHEMBL68995, Phenazine-1,6-dicarboxylicacid, CHEMBL1235512, Phenazine-1 6-dicarboxylic acid, DTXSID80178014, NSC784749, AKOS027252674, NSC-784749, BS-51322, CS-0187850, I11237, Q27104985, PXC |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | phenazine-1,6-dicarboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C14H8N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MJALVONLCNWZHK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.199 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.543 |
| Compound Name | Phenazine-1,6-dicarboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 268.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9537135999999995 |
| Inchi | InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20) |
| Smiles | C1=CC(=C2C(=C1)N=C3C(=N2)C=CC=C3C(=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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all