Methyl 2,6-dimethoxyphenazine-1-carboxylate
PubChem CID: 101289916
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 70.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,6-dimethoxyphenazine-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXQRRUDMDZOPGI-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -6.109 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.208 |
| Compound Name | Methyl 2,6-dimethoxyphenazine-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4272566909090907 |
| Inchi | InChI=1S/C16H14N2O4/c1-20-11-8-7-10-15(13(11)16(19)22-3)18-9-5-4-6-12(21-2)14(9)17-10/h4-8H,1-3H3 |
| Smiles | COC1=C(C2=NC3=C(C(=CC=C3)OC)N=C2C=C1)C(=O)OC |
| Nring | 5.0 |
| 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