Phenazine-1-carboxylic acid
PubChem CID: 95069
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| Compound Synonyms | phenazine-1-carboxylic acid, 2538-68-3, 1-Phenazinecarboxylic acid, Phenazinecarboxylic acid, Tubermycin B, 1-Carboxylic acid phenazine, 1-carboxyphenazine, 102646-59-3, NRRL B-1482, NRRL B-1576, EMR 211, Phenazin-1-carbonsaeure, MFCD00185184, CHEMBL463686, CHEBI:62412, EMR 211 [Russian], SMR000386925, NRRL B-1482 [Russian], NRRL B-1576 [Russian], NSC 15851, BRN 0183818, Phenazinecarboxylic acid (6CI), NSC 15851, Phenazine-a-carboxylic acid, Shenqinmycin, Tubermycin B, PHENAZINE-1-CARBOXYLIC ACID95%, Cambridge id 5141534, CBDivE_015095, 5-25-05-00176 (Beilstein Handbook Reference), MLS000777209, MLS001049089, SCHEMBL122864, DTXSID30180026, Phenazine-.alpha.-carboxylic acid, HMS2267B14, NSC15851, BDBM50390007, NSC-15851, STK955761, AKOS002346530, CS-W009046, FP26871, NCGC00246238-01, NCGC00246238-02, DS-18657, HY-33037, DB-321355, C21442, Q27131864, Phenazinecarboxylic acid, NSC 15851, Phenazine-?-carboxylic acid, InChI=1/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17 |
|---|---|
| Topological Polar Surface Area | 63.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, Q194T2, Q16236, O00167, Q96KQ7, Q96QE3, P83916, P84022, P22303, O75496, Q77YF9, Q9NUW8, P37840, Q9NR56, P27695 |
| Iupac Name | phenazine-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT94 |
| Xlogp | 2.2 |
| Molecular Formula | C13H8N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGCSKOVQDXEQHI-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.125 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.474 |
| Compound Name | Phenazine-1-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.059 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 224.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1343695647058825 |
| Inchi | InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17) |
| Smiles | C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)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