Cephacetrile

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 3
PubChem 91562
Molecular Formula

C13H13N3O6S

SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O

InChI

InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1

synonyms
  • Cefacetrile
  • Cephacetrile
  • Cefacetril
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Properties
Property Value
MW 339.33 g/mol
HBD 2
HBA 8
Rotatable Bond Count 6
Exact Mass 339.05250632 g/mol
Monoisotopic Mass 339.05250632 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 664
xlogp -0.5
Topological Polar Surface Area 162