6-[(1S)-1-hydroxyethyl]phenazine-1-carboxylic acid
PubChem CID: 163031321
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 6-[(1S)-1-hydroxyethyl]phenazine-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWDPOEGUZYTAJW-QMMMGPOBSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.946 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.009 |
| Compound Name | 6-[(1S)-1-hydroxyethyl]phenazine-1-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.085 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 268.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9476863999999994 |
| Inchi | InChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)/t8-/m0/s1 |
| Smiles | C[C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)O)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