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37539-03-0

37539-03-0 structural image
Product Name: 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid
Formula: C10H11N5O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 313.4 g/mol
XLogP3 -3.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 313.03033158 g/mol
Monoisotopic Mass 313.03033158 g/mol
Topological Polar Surface Area 176 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 486
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes