COMPUTED DESCRIPTORS
Molecular Weight | 328.27 g/mol |
---|---|
XLogP3 | 0.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Exact Mass | 328.05830272 g/mol |
Monoisotopic Mass | 328.05830272 g/mol |
Topological Polar Surface Area | 91.3 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 680 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
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
Aflatoxin Q1 is a member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at the pro-3S position is replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a carcinogenic agent. It is an aflatoxin, an aromatic ether and an aromatic ketone. It is functionally related to an aflatoxin B1.