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94771-99-0

94771-99-0 structural image
Product Name: 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-chlorophe nyl)amino)thioxomethyl)hydrazide
Formula: C18H18ClN7O3S
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COMPUTED DESCRIPTORS

Molecular Weight 447.9 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 447.0880363 g/mol
Monoisotopic Mass 447.0880363 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 582
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