COMPUTED DESCRIPTORS
Molecular Weight | 305.4 g/mol |
---|---|
XLogP3 | -0.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Exact Mass | 305.16270821 g/mol |
Monoisotopic Mass | 305.16270821 g/mol |
Topological Polar Surface Area | 89.6 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 369 |
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
Cetraxate is a cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. It has a role as an anti-ulcer drug. It is a tautomer of a cetraxate zwitterion.