6-(Hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid
PubChem CID: 120266
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| Compound Synonyms | Griseoluteic acid, 489-76-9, 6-(hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid, LL 14I352-beta, LL-14I352beta, LL-14I352-beta, 6-(Hydroxymethyl)-9-methoxy-1-phenazinecarboxylic acid, 1-Phenazinecarboxylic acid, 6-(hydroxymethyl)-9-methoxy-, DTXSID00964138, CHEBI:220985, AKOS040741809, DA-53703, HY-118651, CS-0067683, GRI |
|---|---|
| Topological Polar Surface Area | 92.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H12N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TVCSLGBWHLPONF-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.036 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.909 |
| Compound Name | 6-(Hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.08 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 284.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6853135333333333 |
| Inchi | InChI=1S/C15H12N2O4/c1-21-11-6-5-8(7-18)12-14(11)17-13-9(15(19)20)3-2-4-10(13)16-12/h2-6,18H,7H2,1H3,(H,19,20) |
| Smiles | COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cornus Kousa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Urtica Cannabina (Plant) Rel Props:Source_db:cmaup_ingredients