CID 40431008
PubChem CID
40431008
Structure
Molecular Formula
Status
Non-live
Molecular Weight
298.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium
InChI=1S/C17H28FNO2/c1-16(2,3)12-17(4,5)19-10-14(20)11-21-15-8-6-13(18)7-9-15/h6-9,14,19-20H,10-12H2,1-5H3/p+1/t14-/m1/s1
NEDDHYXPADOFIQ-CQSZACIVSA-O
CC(C)(C)CC(C)(C)[NH2+]C[C@H](COC1=CC=C(C=C1)F)O
C17H29FNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
298.4 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
298.21823233 g/mol
Property Name
Monoisotopic Mass
Property Value
298.21823233 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
294
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