COMPUTED DESCRIPTORS
Molecular Weight | 208.21 g/mol |
---|---|
XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 208.07355886 g/mol |
Monoisotopic Mass | 208.07355886 g/mol |
Topological Polar Surface Area | 74.6 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 231 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-benzylsuccinic acid is a dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a 2-benzylsuccinate(2-) and a (R)-2-benzylsuccinate.