37539-03-0
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 |