CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Crystals from acetonitrile |
---|---|
Melting Point | 216-219 °C |
Solubility | Practically insoluble |
LogP | 5.8 |
COMPUTED DESCRIPTORS
Molecular Weight | 366.8 g/mol |
---|---|
XLogP3 | 5.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 366.1022722 g/mol |
Monoisotopic Mass | 366.1022722 g/mol |
Topological Polar Surface Area | 54.4 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 595 |
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
Atovaquone is a naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. It has a role as an antimalarial, an antifungal agent, an EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor, an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor and an EC 1.10.2.2 (quinol--cytochrome-c reductase) inhibitor. It is a member of monochlorobenzenes and a hydroxy-1,4-naphthoquinone.