8-(3-Chlorostyryl)caffeine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 12
PubChem 5353365
Molecular Formula

C16H15ClN4O2

SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+

synonyms
  • 8-(3-Chlorostyryl)caffeine
  • 147700-11-6
  • 8-CSC
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Properties
Property Value
MW 330.77 g/mol
HBD 0
HBA 3
Rotatable Bond Count 2
Exact Mass 330.0883534 g/mol
Monoisotopic Mass 330.0883534 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 526
xlogp 2.5
Topological Polar Surface Area 58.4