Methyl 2,3,4-trimethoxyphenazine-1-carboxylate
PubChem CID: 21856881
Connections displayed (default: 10).
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| Topological Polar Surface Area | 79.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,3,4-trimethoxyphenazine-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C17H16N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WIKPMELCZRXISE-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -2.383 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.227 |
| Compound Name | Methyl 2,3,4-trimethoxyphenazine-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.106 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 328.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.489275466666667 |
| Inchi | InChI=1S/C17H16N2O5/c1-21-14-11(17(20)24-4)12-13(15(22-2)16(14)23-3)19-10-8-6-5-7-9(10)18-12/h5-8H,1-4H3 |
| Smiles | COC1=C(C2=NC3=CC=CC=C3N=C2C(=C1OC)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 - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients