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Chemical ID: 6501260
Chemical ID:
6501260
Name [?]:
1-[6-(1-pyridyl)hexyl]pyridine
SMILES [?]:
c1cc[n+](cc1)CCCCCC[n+]2ccccc2
InChi [?]:
InChI=1/C16H22N2/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2/q+2
InChi Info:
AuxInfo=1/0/N:9,10,1,16,8,11,2,6,15,17,7,12,3,5,14,18,4,13/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18)/CRV:17+1,18+1/rA:18nCCCN+CCCCCCCCN+CCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2+2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -63.0464 |
Area: | 480.716 |
Solvation: | -75.0643 |
Coulombic: | 59.7388 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.37 |
LogP (Chemaxon): | -4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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