2-(9H-beta-Carbolin-1-yl)ethanol
PubChem CID: 5492072
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| Compound Synonyms | 2-(9H-beta-Carbolin-1-yl)ethanol, 102828-03-5, 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol, 1-(2'-Hydroxyethyl)-beta-carboline, DTXSID20145528, 9H-Pyrido[3,4-b]indole-1-ethanol, DTXCID1068019, DB-369769 |
|---|---|
| Topological Polar Surface Area | 48.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(9H-pyrido[3,4-b]indol-1-yl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C13H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQWCOPIJKAFODS-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -2.563 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.063 |
| Compound Name | 2-(9H-beta-Carbolin-1-yl)ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.841112399999999 |
| Inchi | InChI=1S/C13H12N2O/c16-8-6-12-13-10(5-7-14-12)9-3-1-2-4-11(9)15-13/h1-5,7,15-16H,6,8H2 |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Macrantherum (Plant) Rel Props:Source_db:cmaup_ingredients