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6953-78-2

6953-78-2 structural image
Product Name: 2-THIOOROTIC ACID
Formula: C5H4N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 172.16 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 171.99426317 g/mol
Monoisotopic Mass 171.99426317 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 271
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes