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Chemistry

Mol. Mass

436.96

ALogP

4.19

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O
  • InChIKey: JICJBGPOMZQUBB-UHFFFAOYSA-N
    InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1289110   ChEMBL
tianeptine

Tianeptine   Wikipedia

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