CID 52324002
PubChem CID
52324002
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
264.69 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
5-[(E)-2-(4-chlorophenyl)-2-oxidoethenyl]-2-sulfanylideneimidazol-4-olate
InChI=1S/C11H7ClN2O2S/c12-7-3-1-6(2-4-7)9(15)5-8-10(16)14-11(17)13-8/h1-5,15H,(H,14,16,17)/p-2/b9-5+
QMXJBQMZLFLZRG-WEVVVXLNSA-L
C1=CC(=CC=C1/C(=C\C2=NC(=S)N=C2[O-])/[O-])Cl
C11H5ClN2O2S-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.69 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
263.9760263 g/mol
Property Name
Monoisotopic Mass
Property Value
263.9760263 g/mol
Property Name
Topological Polar Surface Area
Property Value
103 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
423
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
1
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
CONTENTS