Chemical ID: 4823788

C[N+]12CCC(CC1)C(C2)OC(=O)c3ccccc3
Chemical ID:
4823788
Name [?]:
(1-methyl-1-azoniabicyclo[2.2.2]oct-5-yl) benzoate
SMILES [?]:
C[N+]12CCC(CC1)C(C2)OC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H20NO2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-17.7128
Area:424.67
Solvation:-28.3295
Coulombic:2.85115
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.325
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.1
LogP (Chemaxon):-2.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue