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Chemical ID: 6690760
Chemical ID:
6690760
Name [?]:
2-phenyl-6-(2-pyridyl)pyridine
SMILES [?]:
c1ccc(cc1)c2cccc(n2)c3ccccn3
InChi [?]:
InChI=1/C16H12N2/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,9,3,5,14,8,10,17,4,7,13,11,18,12/E:(2,3)(7,8)/rA:18nCCCCCCCCCCCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92944 |
Area: | 424.727 |
Solvation: | -1.68873 |
Coulombic: | -13.8461 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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