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845664-49-5

845664-49-5 structural image
Product Name: 4-(7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenol
Formula: C18H11ClN6O
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COMPUTED DESCRIPTORS

Molecular Weight 362.8 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 362.0682867 g/mol
Monoisotopic Mass 362.0682867 g/mol
Topological Polar Surface Area 81.1 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 504
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