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1000340-25-9

1000340-25-9 structural image
Product Name: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl-5-nitro-
Formula: C9H7N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 221.17 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 221.04365571 g/mol
Monoisotopic Mass 221.04365571 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 316
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