pirinixic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 244
Total Number of Articles : 343
PubChem 5694
Molecular Formula

C14H14ClN3O2S

SMILES

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C

InChI

InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)

synonyms
  • Pirinixic acid
  • 50892-23-4
  • WY-14643
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Properties
Property Value
MW 323.8 g/mol
HBD 2
HBA 6
Rotatable Bond Count 5
Exact Mass 323.0495256 g/mol
Monoisotopic Mass 323.0495256 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 361
xlogp 4.2
Topological Polar Surface Area 100