Harmine N-oxide
PubChem CID: 85853001
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| Compound Synonyms | Harmine N-oxide, CHEMBL4089575 |
|---|---|
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-7-methoxy-1-methylpyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C13H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUANTNWGCWSVRB-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.664 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.861 |
| Compound Name | Harmine N-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8197385529411765 |
| Inchi | InChI=1S/C13H12N2O2/c1-8-13-11(5-6-15(8)16)10-4-3-9(17-2)7-12(10)14-13/h3-7,16H,1-2H3 |
| Smiles | CC1=C2C(=C3C=CC(=CC3=N2)OC)C=CN1O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients