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Chemical ID: 5252030
Chemical ID:
5252030
Name [?]:
8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILES [?]:
C[NH+]1C2CCC1CC(C2)O
InChi [?]:
InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,5,9,7,3,6,8,2,10/E:(2,3)(4,5)(6,7)/rA:10cCN+CCCCCCCO/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16NO+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -24.3411 |
Area: | 284.658 |
Solvation: | -31.4575 |
Coulombic: | 14.5828 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 142.219 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.48 |
LogP (Chemaxon): | 0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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