• 
  [Synonyms]
  4-(9-Acridinylamino)benzeneethanesulfonic acid
  Benzeneethanesulfonic acid, 4-(9-acridinylamino)-
  64895-25-6
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	378.44422 [g/mol]
  Molecular Formula	C21H18N2O3S
  XLogP	3.6
  H-Bond Donor	2
  H-Bond Acceptor	5
  Rotatable Bond Count	5
  Tautomer Count	2
  Exact Mass	378.103813
  MonoIsotopic Mass	378.103813
  Topological Polar Surface Area	79.3
  Heavy Atom Count	27
  Formal Charge	0
  Complexity	561
  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: 2-[4-(acridin-9-ylamino)phenyl]ethanesulfonic acid
  Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCS(=O)(=O)O
  InChI: InChI=1/C21H18N2O3S/c24-27(25,
  26)14-13-15-9-11-16(12-10-15)22-21-17-5-1-3-7-19(17)23-20-8-4-2-6-18(20)
  21/h1-12H,13-14H2,(H,22,23)(H,24,25,26)/f/h22,24H