(1S)-2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
PubChem CID: 101726886
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 58.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C14H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZQZNYPPPNBAEP-GFCCVEGCSA-N |
| Fcsp3 | 0.2142857142857142 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (1S)-2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 242.106 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5290680444444447 |
| Inchi | InChI=1S/C14H14N2O2/c1-18-8-12(17)14-13-10(6-7-15-14)9-4-2-3-5-11(9)16-13/h2-7,12,16-17H,8H2,1H3/t12-/m1/s1 |
| Smiles | COC[C@H](C1=NC=CC2=C1NC3=CC=CC=C23)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Schrenkiana (Plant) Rel Props:Source_db:cmaup_ingredients