NSC 74859

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 40
Total Number of Articles : 69
PubChem 252682
Molecular Formula

C16H15NO7S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)

synonyms
  • 501919-59-1
  • S3I-201
  • Nsc 74859
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Properties
Property Value
MW 365.4 g/mol
HBD 3
HBA 7
Rotatable Bond Count 6
Exact Mass 365.05692299 g/mol
Monoisotopic Mass 365.05692299 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 578
xlogp 3
Topological Polar Surface Area 138