methyl 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylate
PubChem CID: 40473412
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C16H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMJFOBNRYRSQGE-SECBINFHSA-N |
| Fcsp3 | 0.1875 |
| Logs | -2.865 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.313 |
| Compound Name | methyl 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.145587133333333 |
| Inchi | InChI=1S/C16H14N2O3/c1-9(19)10-5-3-7-12-14(10)17-13-8-4-6-11(15(13)18-12)16(20)21-2/h3-9,19H,1-2H3/t9-/m1/s1 |
| Smiles | C[C@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Umbrosum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Drimia Altissima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Helenium Amarum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Scutellaria Viscidula (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Retrorsus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients