Captopril

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 623
Total Number of Articles : 2910
PubChem 44093
Molecular Formula

C9H15NO3S

SMILES

C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1

synonyms
  • captopril
  • 62571-86-2
  • Capoten
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Properties
Property Value
MW 217.29 g/mol
HBD 2
HBA 4
Rotatable Bond Count 3
Exact Mass 217.07726451 g/mol
Monoisotopic Mass 217.07726451 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 244
xlogp 0.3
Topological Polar Surface Area 58.6