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Chemical ID: 6693720
Chemical ID:
6693720
Name [?]:
2-methyl-6-(2-phenylethynyl)pyridine
SMILES [?]:
Cc1cccc(n1)C#Cc2ccccc2
InChi [?]:
InChI=1/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,4,3,11,15,5,9,8,2,10,6,7/E:(3,4)(7,8)/rA:15nCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;t8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61102 |
Area: | 399.614 |
Solvation: | -1.37933 |
Coulombic: | -8.08956 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 193.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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