CID 40721563
PubChem CID
40721563
Structure
Molecular Formula
Status
Non-live
Molecular Weight
263.18 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2,3-dichlorophenyl)methyl-(3-ethoxypropyl)azanium
InChI=1S/C12H17Cl2NO/c1-2-16-8-4-7-15-9-10-5-3-6-11(13)12(10)14/h3,5-6,15H,2,4,7-9H2,1H3/p+1
BJQPRAISPXEGID-UHFFFAOYSA-O
CCOCCC[NH2+]CC1=C(C(=CC=C1)Cl)Cl
C12H18Cl2NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
263.18 g/mol
Property Name
XLogP3-AA
Property Value
3.1
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
7
Property Name
Exact Mass
Property Value
262.0765446 g/mol
Property Name
Monoisotopic Mass
Property Value
262.0765446 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
180
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
Old substance
CONTENTS