CID 28829075
PubChem CID
28829075
Structure
Molecular Formula
Status
Non-live
Molecular Weight
383.19 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2-cyanophenyl)sulfonyl-(3-iodophenyl)azanide
InChI=1S/C13H8IN2O2S/c14-11-5-3-6-12(8-11)16-19(17,18)13-7-2-1-4-10(13)9-15/h1-8H/q-1
XHFBUYXABZHMJP-UHFFFAOYSA-N
C1=CC=C(C(=C1)C#N)S(=O)(=O)[N-]C2=CC(=CC=C2)I
C13H8IN2O2S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
383.19 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
382.93512 g/mol
Property Name
Monoisotopic Mass
Property Value
382.93512 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
451
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS