Chemical ID: 5663153

Cc1ccc(cc1)C2(C[NH+]3CCC2CC3)O
Chemical ID:
5663153
Name [?]:
8-(p-tolyl)-1-azoniabicyclo[2.2.2]octan-8-ol
SMILES [?]:
Cc1ccc(cc1)C2(C[NH+]3CCC2CC3)O
InChi [?]:
InChI=1/C14H19NO/c1-11-2-4-12(5-3-11)14(16)10-15-8-6-13(14)7-9-15/h2-5,13,16H,6-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,14,11,15,9,2,5,13,8,10,16/E:(2,3)(4,5)(6,7)(8,9)/rA:16cCCCCCCCCCN+CCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s13;s10s14;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20NO+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-22.1403
Area:372.494
Solvation:-31.4527
Coulombic:11.6235
Bond Count [?]
All:18
Single:15
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:218.315
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):2.01

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Descriptor Annotations

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