agomelatine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 145
Total Number of Articles : 149
PubChem 82148
Molecular Formula

C15H17NO2

SMILES

CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

InChI

InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)

synonyms
  • Agomelatine
  • Thymanax
  • Valdoxan
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Properties
Property Value
MW 243.30 g/mol
HBD 1
HBA 2
Rotatable Bond Count 4
Exact Mass 243.125928785 g/mol
Monoisotopic Mass 243.125928785 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 280
xlogp 2.7
Topological Polar Surface Area 38.3