Dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate
PubChem CID: 21856884
Connections displayed (default: 10).
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| Topological Polar Surface Area | 106.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 574.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C19H18N2O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WSUXJSZDSVZUQU-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.382 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.046 |
| Compound Name | Dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5609320000000007 |
| Inchi | InChI=1S/C19H18N2O7/c1-24-11-7-6-9-15(13(11)18(22)27-4)21-10-8-12(25-2)17(26-3)14(16(10)20-9)19(23)28-5/h6-8H,1-5H3 |
| Smiles | COC1=C(C2=NC3=CC(=C(C(=C3N=C2C=C1)C(=O)OC)OC)OC)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