CID 26192063
PubChem CID
26192063
Structure
Molecular Formula
Status
Non-live
Molecular Weight
233.11 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-ium
InChI=1S/C10H11Cl2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/p+1/t8-/m0/s1
ZRYMANOGJMYQPM-QMMMGPOBSA-O
C1C[NH2+]C[C@H]1OC2=CC(=C(C=C2)Cl)Cl
C10H12Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
233.11 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
232.0295944 g/mol
Property Name
Monoisotopic Mass
Property Value
232.0295944 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
191
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS