CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 141.28 Ų [M+H]+ 143.59 Ų [M-H]- |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 183.21 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 183.11201006 g/mol |
| Monoisotopic Mass | 183.11201006 g/mol |
| Topological Polar Surface Area | 77.9 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 258 |
| 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
Simazine-2-hydroxy is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a heteroaryl hydroxy compound.