CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 3.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 268.22 g/mol |
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XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 1 |
Exact Mass | 268.04840674 g/mol |
Monoisotopic Mass | 268.04840674 g/mol |
Topological Polar Surface Area | 84.5 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 443 |
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
2-(3-nitrophenyl)-3,1-benzoxazin-4-one is a benzoxazine.