CID 25791366
PubChem CID
25791366
Structure
Molecular Formula
Status
Non-live
Molecular Weight
215.27 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
[(R)-(2-methoxyphenyl)-pyridin-4-ylmethyl]azanium
InChI=1S/C13H14N2O/c1-16-12-5-3-2-4-11(12)13(14)10-6-8-15-9-7-10/h2-9,13H,14H2,1H3/p+1/t13-/m1/s1
XIAWDYMLNMMWCK-CYBMUJFWSA-O
COC1=CC=CC=C1[C@@H](C2=CC=NC=C2)[NH3+]
C13H15N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
215.27 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
215.118438106 g/mol
Property Name
Monoisotopic Mass
Property Value
215.118438106 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.8 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
204
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