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80357-74-0

80357-74-0 structural image
Product Name: 4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRIC ACID
Formula: C11H11NO2S2
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COMPUTED DESCRIPTORS

Molecular Weight 253.3 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 253.02312094 g/mol
Monoisotopic Mass 253.02312094 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 250
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