Chemical ID: 6731437

c1ccc(cc1)C2(C[NH+]3CCC2CC3)O
Chemical ID:
6731437
Name [?]:
8-phenyl-1-azoniabicyclo[2.2.2]octan-8-ol
SMILES [?]:
c1ccc(cc1)C2(C[NH+]3CCC2CC3)O
InChi [?]:
InChI=1/C13H17NO/c15-13(11-4-2-1-3-5-11)10-14-8-6-12(13)7-9-14/h1-5,12,15H,6-10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,13,10,14,8,4,12,7,9,15/E:(2,3)(4,5)(6,7)(8,9)/rA:15cCCCCCCCCN+CCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s12;s9s13;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18NO+
All Atoms:33
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-22.7591
Area:349.66
Solvation:-31.5006
Coulombic:11.4294
Bond Count [?]
All:17
Single:14
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.288
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.38
LogP (Chemaxon):1.54

Name Annotations

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Descriptor Annotations

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