Cephalothin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 60
Total Number of Articles : 73
PubChem 6024
Molecular Formula

C16H16N2O6S2

SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1

synonyms
  • cephalothin
  • Cefalotin
  • 153-61-7
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Properties
Property Value
MW 396.4 g/mol
HBD 2
HBA 8
Rotatable Bond Count 7
Exact Mass 396.04497858 g/mol
Monoisotopic Mass 396.04497858 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 680
xlogp -0.4
Topological Polar Surface Area 167