Hydroxy-harmine
PubChem CID: 129762063
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4066450, hydroxy-harmine, SCHEMBL21393266, BDBM50367664 |
|---|---|
| Topological Polar Surface Area | 58.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanol |
| Prediction Hob | 1.0 |
| Target Id | NPT3114 |
| Xlogp | 2.3 |
| Molecular Formula | C13H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYJUPQUBVKLDQY-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.224 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.996 |
| Compound Name | Hydroxy-harmine |
| 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 | -2.596238552941176 |
| Inchi | InChI=1S/C13H12N2O2/c1-17-8-2-3-9-10-4-5-14-12(7-16)13(10)15-11(9)6-8/h2-6,15-16H,7H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CO |
| 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