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172701-60-9

172701-60-9 structural image
Product Name: 5-(1-(3-Chlorophenyl)-4-methoxy-5-(4-nitrophenylazo)-1H-pyrazol-3-yl)- 1,3,4-thiadiazol-2-amine
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COMPUTED DESCRIPTORS

Molecular Weight 456.9 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 456.0519852 g/mol
Monoisotopic Mass 456.0519852 g/mol
Topological Polar Surface Area 178 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 650
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