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438221-00-2

438221-00-2 structural image
Product Name: 3-(5-METHYL-TETRAZOL-2-YL)-ADAMANTANE-1-CARBOXYLIC ACID
Formula: C13H18N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 262.31 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 262.14297583 g/mol
Monoisotopic Mass 262.14297583 g/mol
Topological Polar Surface Area 80.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 413
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes