6-fluoro-noradrenaline   Click here for help

GtoPdb Ligand ID: 510

Synonyms: 5-fluoronorepinephrine | 6-fluoro-NE  | 6-fluoronorepinephrine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 86.71
Molecular weight 187.06
XLogP 0.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC(c1cc(O)c(cc1F)O)O
Isomeric SMILES NCC(c1cc(O)c(cc1F)O)O
InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
InChI Key SBUQBFTXTZSRMH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol
Synonyms Click here for help
5-fluoronorepinephrine | 6-fluoro-NE  | 6-fluoronorepinephrine
Database Links Click here for help
BindingDB Ligand 50019061
CAS Registry No. 86820-21-5 (source: Scifinder)
ChEMBL Ligand CHEMBL281232
GtoPdb PubChem SID 135649849
PubChem CID 1862
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Wikipedia 6-Fluoronorepinephrine