Chemical ID: 6487963

C[NH+]1C2CCC1CC(C2)OC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
6487963
Name [?]:
(8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 3,4,5-trimethoxybenzoate
SMILES [?]:
C[NH+]1C2CCC1CC(C2)OC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H26NO5+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:-23.0609
Area:537.389
Solvation:-36.4956
Coulombic:-8.47791
Bond Count [?]
All:26
Single:22
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.403
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.28
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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