Chemical ID: 5173996

c1cc(ccc1C[N+]23CCC(CC2)CC3)Cl
Chemical ID:
5173996
Name [?]:
1-[(4-chlorophenyl)methyl]-1-azoniabicyclo[2.2.2]octane
SMILES [?]:
c1cc(ccc1C[N+]23CCC(CC2)CC3)Cl
InChi [?]:
InChI=1/C14H19ClN/c15-14-3-1-13(2-4-14)11-16-8-5-12(6-9-16)7-10-16/h1-4,12H,5-11H2/q+1
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,12,14,9,13,15,7,11,6,3,16,8/E:(1,2)(3,4)(5,6,7)(8,9,10)/CRV:16+1/rA:16nCCCCCCCN+CCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s11;s8s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19ClN+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-17.2395
Area:395.547
Solvation:-27.1282
Coulombic:21.8271
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.76
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.01
LogP (Chemaxon):-1.56

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Descriptor Annotations

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