CID 70498226
PubChem CID
70498226
Structure
Molecular Formula
Status
Non-live
Molecular Weight
776.8 g/mol
Dates
- Create:2012-12-01
Chemical Structure Depiction
quinolin-1-ium-8-ol;disulfate
InChI=1S/4C9H7NO.2H2O4S/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-5(2,3)4/h4*1-6,11H;2*(H2,1,2,3,4)
GWNBOVAZGBNPDR-UHFFFAOYSA-N
C1=CC2=C(C(=C1)O)[NH+]=CC=C2.C1=CC2=C(C(=C1)O)[NH+]=CC=C2.C1=CC2=C(C(=C1)O)[NH+]=CC=C2.C1=CC2=C(C(=C1)O)[NH+]=CC=C2.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
C36H32N4O12S2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
776.8 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
8
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
776.14581482 g/mol
Property Name
Monoisotopic Mass
Property Value
776.14581482 g/mol
Property Name
Topological Polar Surface Area
Property Value
315A^2
Property Name
Heavy Atom Count
Property Value
54
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
200
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
6
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS