6-Methoxy-1-phenazinecarboxylic acid methyl ester
PubChem CID: 12318570
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| Compound Synonyms | 39011-76-2, 6-methoxy-1-phenazinecarboxylic acid methyl ester, GQFPWKFVZSSJSR-UHFFFAOYSA-, methyl-6-methoxyphenazine-1-carboxylate, InChI=1/C15H12N2O3/c1-19-12-8-4-7-11-14(12)17-10-6-3-5-9(13(10)16-11)15(18)20-2/h3-8H,1-2H3 |
|---|---|
| Topological Polar Surface Area | 61.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 6-methoxyphenazine-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GQFPWKFVZSSJSR-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.087 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.513 |
| Compound Name | 6-Methoxy-1-phenazinecarboxylic acid methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.085 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 268.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3730864 |
| Inchi | InChI=1S/C15H12N2O3/c1-19-12-8-4-7-11-14(12)17-10-6-3-5-9(13(10)16-11)15(18)20-2/h3-8H,1-2H3 |
| Smiles | COC1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)OC |
| 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