CHEMICAL AND PHYSICAL PROPERTIES
Ionization Efficiency | Positive |
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COMPUTED DESCRIPTORS
Molecular Weight | 113.08 g/mol |
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XLogP3 | 0.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 113.022526347 g/mol |
Monoisotopic Mass | 113.022526347 g/mol |
Topological Polar Surface Area | 74.5 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 99.2 |
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 |
PRODUCT INTRODUCTION
description
2-nitroimidazole is an imidazole that is 1H-imidazole substituted at position 2 by a nitro group. It has a role as an antitubercular agent. It is a C-nitro compound and a member of imidazoles. It is functionally related to a 1H-imidazole.