Octopamine
Representations & DB's id
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| ChEBI: | CHEBI:17134 | |
|---|---|---|
| ChEMBL: | CHEMBL53929 | |
| PubChem: | 4581 | |
| IUPAC: | 4-(2-amino-1-hydroxyethyl)phenol | |
| Standard InChI: | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 | |
| Standard InChI Key: | QHGUCRYDKWKLMG-UHFFFAOYSA-N | |
| SMILES: | NCC(c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 0.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 153.08 | |
| Topological polar surface area: | 66.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 8 | |