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Chemical ID: 5623604
Chemical ID:
5623604
Name [?]:
2-[2-(2-pyridyl)vinyl]pyridine
SMILES [?]:
c1ccnc(c1)C=Cc2ccccn2
InChi [?]:
InChI=1/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,7,8,3,13,5,9,4,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25467 |
Area: | 342.139 |
Solvation: | -2.2988 |
Coulombic: | -9.39186 |
Bond Count [?]
All: | 15 |
Single: | 8 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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