Chemical ID: 4561449

C[N+]1(C2CCCC1CC(C2)OC(=O)c3ccccc3)C
Chemical ID:
4561449
Name [?]:
(9,9-dimethyl-9-azoniabicyclo[3.3.1]non-7-yl) benzoate
SMILES [?]:
C[N+]1(C2CCCC1CC(C2)OC(=O)c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H24NO2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-16.0987
Area:454.337
Solvation:-27.4571
Coulombic:2.33714
Bond Count [?]
All:22
Single:18
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.02
LogP (Chemaxon):-2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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