Sertraline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 287
Total Number of Articles : 368
PubChem 68617
Molecular Formula

C17H17Cl2N

SMILES

CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1

synonyms
  • sertraline
  • 79617-96-2
  • (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
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Properties
Property Value
MW 306.2 g/mol
HBD 1
HBA 1
Rotatable Bond Count 2
Exact Mass 305.0738049 g/mol
Monoisotopic Mass 305.0738049 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 322
xlogp 4.8
Topological Polar Surface Area 12