CID 40510074
PubChem CID
40510074
Structure
Molecular Formula
Status
Non-live
Molecular Weight
247.74 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(3R)-3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]azanium
InChI=1S/C14H15ClN2/c15-12-6-4-11(5-7-12)13(8-9-16)14-3-1-2-10-17-14/h1-7,10,13H,8-9,16H2/p+1/t13-/m1/s1
FNBHBFPBGUXPRF-CYBMUJFWSA-O
C1=CC=NC(=C1)[C@H](CC[NH3+])C2=CC=C(C=C2)Cl
C14H16ClN2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
247.74 g/mol
Property Name
XLogP3
Property Value
2.4
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
4
Property Name
Exact Mass
Property Value
247.1002012 g/mol
Property Name
Monoisotopic Mass
Property Value
247.1002012 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.5 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
214
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
Old substance
CONTENTS