Sorafenib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1458
Total Number of Articles : 2844
PubChem 216239
Molecular Formula

C21H16ClF3N4O3

SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)

synonyms
  • Sorafenib
  • 284461-73-0
  • Nexavar
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Properties
Property Value
MW 464.8 g/mol
HBD 3
HBA 7
Rotatable Bond Count 5
Exact Mass 464.0863026 g/mol
Monoisotopic Mass 464.0863026 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 646
xlogp 4.1
Topological Polar Surface Area 92.4