UMI-77

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 10
PubChem 992586
Molecular Formula

C18H14BrNO5S2

SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)

synonyms
  • UMI-77
  • 2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
  • 2-(4-((4-bromophenyl)sulfonylamino)-1-hydroxynaphthalen-2-yl)sulfanylacetic acid
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Properties
Property Value
MW 468.3 g/mol
HBD 3
HBA 7
Rotatable Bond Count 6
Exact Mass 466.94968 g/mol
Monoisotopic Mass 466.94968 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 618
xlogp 4.1
Topological Polar Surface Area 137