CID 28293346
PubChem CID
28293346
Structure
Molecular Formula
Status
Non-live
Molecular Weight
278.39 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(3S)-8-[(4-methylphenyl)methyl]-1,4-dioxa-8-azoniaspiro[4.5]decan-3-yl]methylazanium
InChI=1S/C16H24N2O2/c1-13-2-4-14(5-3-13)11-18-8-6-16(7-9-18)19-12-15(10-17)20-16/h2-5,15H,6-12,17H2,1H3/p+2/t15-/m0/s1
UIMCLGRAIIPAPL-HNNXBMFYSA-P
CC1=CC=C(C=C1)C[NH+]2CCC3(CC2)OC[C@@H](O3)C[NH3+]
C16H26N2O2+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.39 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
278.199428076 g/mol
Property Name
Monoisotopic Mass
Property Value
278.199428076 g/mol
Property Name
Topological Polar Surface Area
Property Value
50.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
308
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