JIB-04

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 10
PubChem 392778
Molecular Formula

C17H13ClN4

SMILES

C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)

synonyms
  • JIB-04
  • 199596-05-9
  • 199596-24-2
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Properties
Property Value
MW 308.8 g/mol
HBD 1
HBA 4
Rotatable Bond Count 4
Exact Mass 308.0828741 g/mol
Monoisotopic Mass 308.0828741 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 368
xlogp 4.6
Topological Polar Surface Area 50.2