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13551-92-3

13551-92-3 structural image
Product Name: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-
Formula: C6H9N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 187.15 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 187.05930578 g/mol
Monoisotopic Mass 187.05930578 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 183
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

Desmethylmisonidazole is a radiosensitizer that targets hypoxic cells and act as oxygen substitute making tumor cells sensitive to radiation damage.