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235109-65-6

235109-65-6 structural image
Product Name: 4-(5-AMINO-1,3,4-THIADIAZOL-2-YL)BENZOIC ACID
Formula: C9H7N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 221.24 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 221.02589765 g/mol
Monoisotopic Mass 221.02589765 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 244
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