nitisinone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 31
Total Number of Articles : 63
PubChem 115355
Molecular Formula

C14H10F3NO5

SMILES

C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2

synonyms
  • Nitisinone
  • 104206-65-7
  • Orfadin
Click to show/hide the synonyms
Properties
Property Value
MW 329.23 g/mol
HBD 0
HBA 8
Rotatable Bond Count 2
Exact Mass 329.05110691 g/mol
Monoisotopic Mass 329.05110691 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 524
xlogp 2.3
Topological Polar Surface Area 97