6-chloropenicillanic acid S-sulfoxide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 126806
Molecular Formula

C8H10ClNO4S

SMILES

CC1([C@@H](N2[C@H](S1=O)[C@H](C2=O)Cl)C(=O)O)C

InChI

InChI=1S/C8H10ClNO4S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)15(8)14/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+,15?/m0/s1

synonyms
  • 6-Chloropenicillanic acid S-sulfoxide
  • 97729-66-3
  • CASS
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Properties
Property Value
MW 251.69 g/mol
HBD 1
HBA 5
Rotatable Bond Count 1
Exact Mass 251.0019067 g/mol
Monoisotopic Mass 251.0019067 g/mol
Heavy Atom Count 15
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 383
xlogp -0.7
Topological Polar Surface Area 93.9