CID 39372956
PubChem CID
39372956
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.8 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(3-chlorophenyl)ethyl-(3-phenylpropyl)azanium
InChI=1S/C17H20ClN/c18-17-10-4-8-16(14-17)11-13-19-12-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14,19H,5,9,11-13H2/p+1
WWDHJMUQYNUPAP-UHFFFAOYSA-O
C1=CC=C(C=C1)CCC[NH2+]CCC2=CC(=CC=C2)Cl
C17H21ClN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.8 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
274.1362524 g/mol
Property Name
Monoisotopic Mass
Property Value
274.1362524 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
225
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
CONTENTS