tepoxalin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 37
Total Number of Articles : 25
PubChem 59757
Molecular Formula

C20H20ClN3O3

SMILES

CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3

synonyms
  • TEPOXALIN
  • 103475-41-8
  • Tepoxaline
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Properties
Property Value
MW 385.8 g/mol
HBD 1
HBA 4
Rotatable Bond Count 6
Exact Mass 385.1193192 g/mol
Monoisotopic Mass 385.1193192 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 479
xlogp 3.4
Topological Polar Surface Area 67.6