Methyl phenazine-1-carboxylate
PubChem CID: 602126
Connections displayed (default: 10).
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| Compound Synonyms | methyl phenazine-1-carboxylate, 3225-19-2, 1-Phenazinecarboxylic acid methyl ester, 1-Phenazinecarboxylic acid, methyl ester, Methyl 1-phenazinecarboxylate, 1-METHOXYCARBONYLPHENAZINE, CHEMBL4093951, SCHEMBL13653391, DTXSID10345151, CHEBI:203657, UEHCMQFOWIRZGQ-UHFFFAOYSA-N, AKOS003627866, Q63399832 |
|---|---|
| Topological Polar Surface Area | 52.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl phenazine-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEHCMQFOWIRZGQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.435 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.777 |
| Compound Name | Methyl phenazine-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3293807555555555 |
| Inchi | InChI=1S/C14H10N2O2/c1-18-14(17)9-5-4-8-12-13(9)16-11-7-3-2-6-10(11)15-12/h2-8H,1H3 |
| Smiles | COC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21 |
| 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