CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1683.7 |
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COMPUTED DESCRIPTORS
Molecular Weight | 184.20 g/mol |
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XLogP3 | -0.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 184.09602564 g/mol |
Monoisotopic Mass | 184.09602564 g/mol |
Topological Polar Surface Area | 87.8 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 289 |
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
Metribuzin-diketo is a member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. It has a role as a marine xenobiotic metabolite. It is a diketone and a member of 1,2,4-triazines.