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Chemical ID: 5663153
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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