CID 42056857
PubChem CID
42056857
Structure
Molecular Formula
Status
Non-live
Molecular Weight
230.30 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-1-(2-fluorophenyl)-3-phenylpropan-2-yl]azanium
InChI=1S/C15H16FN/c16-15-9-5-4-8-13(15)11-14(17)10-12-6-2-1-3-7-12/h1-9,14H,10-11,17H2/p+1/t14-/m0/s1
DRJOQSSYONKLIC-AWEZNQCLSA-O
C1=CC=C(C=C1)C[C@@H](CC2=CC=CC=C2F)[NH3+]
C15H17FN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
230.30 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
230.134502709 g/mol
Property Name
Monoisotopic Mass
Property Value
230.134502709 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
213
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