• 
  [Synonyms]
  NSC221232
  15371-04-7
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	204.18212 [g/mol]
  Molecular Formula	C10H8N2O3
  XLogP	0.8
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	0
  Tautomer Count	2
  Exact Mass	204.053492
  MonoIsotopic Mass	204.053492
  Topological Polar Surface Area	66.5
  Heavy Atom Count	15
  Formal Charge	0
  Complexity	327
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 3-acetyl-2H-phthalazine-1,4-dione
  Canonical SMILES: CC(=O)N1C(=O)C2=CC=CC=C2C(=O)N1
  InChI: InChI=1/C10H8N2O3/c1-6(13)12-10(15)8-5-3-2-4-7(8)9(14)11-12/h2-5H,1H3,
  (H,11,14)/f/h11H