CID 42057308
PubChem CID
42057308
Structure
Molecular Formula
Status
Non-live
Molecular Weight
264.74 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S)-1-(3-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]azanium
InChI=1S/C15H15ClFN/c16-13-6-3-4-11(8-13)9-14(18)10-12-5-1-2-7-15(12)17/h1-8,14H,9-10,18H2/p+1/t14-/m0/s1
NUQLFMLJHIMHDV-AWEZNQCLSA-O
C1=CC=C(C(=C1)C[C@H](CC2=CC(=CC=C2)Cl)[NH3+])F
C15H16ClFN+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.74 g/mol
Property Name
XLogP3-AA
Property Value
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
264.0955304 g/mol
Property Name
Monoisotopic Mass
Property Value
264.0955304 g/mol
Property Name
Topological Polar Surface Area
Property Value
27.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
249
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