CID 39385207
PubChem CID
39385207
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.34 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
cyclohexyl-[(2R)-3-(2,4-difluorophenoxy)-2-hydroxypropyl]azanium
InChI=1S/C15H21F2NO2/c16-11-6-7-15(14(17)8-11)20-10-13(19)9-18-12-4-2-1-3-5-12/h6-8,12-13,18-19H,1-5,9-10H2/p+1/t13-/m1/s1
AJHRMQMDTZAHDG-CYBMUJFWSA-O
C1CCC(CC1)[NH2+]C[C@H](COC2=C(C=C(C=C2)F)F)O
C15H22F2NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.34 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
286.16186027 g/mol
Property Name
Monoisotopic Mass
Property Value
286.16186027 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
275
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