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Chemical ID: 4987736
Chemical ID:
4987736
Name [?]:
4-methyl-1-tetradecyl-pyridine
SMILES [?]:
CCCCCCCCCCCCCC[n+]1ccc(cc1)C
InChi [?]:
InChI=1/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,6,7,8,9,10,11,12,13,17,19,14,16,20,18,15/E:(15,16)(18,19)/CRV:21+1/rA:21nCCCCCCCCCCCCCCN+CCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H36N+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -12.3795 |
Area: | 608.892 |
Solvation: | -27.6018 |
Coulombic: | 16.295 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 290.507 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.78 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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