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Chemical ID: 6710933
Chemical ID:
6710933
Name [?]:
8-(3-pyridyl)-1,5-diazoniabicyclo[3.2.1]octane
SMILES [?]:
c1cc(cnc1)C2[NH+]3CCC[NH+]2CC3
InChi [?]:
InChI=1/C11H15N3/c1-3-10(9-12-4-1)11-13-5-2-6-14(11)8-7-13/h1,3-4,9,11H,2,5-8H2/p+2
InChi Info:
AuxInfo=1/1/N:1,10,2,6,9,11,14,13,4,3,7,5,8,12/E:(5,6)(7,8)(13,14)/rA:14cCCCCNCCN+CCCN+CC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s7s11;s12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3+2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -100.304 |
Area: | 335.866 |
Solvation: | -108.7 |
Coulombic: | 116.224 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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