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Chemical ID: 6732884
Chemical ID:
6732884
Name [?]:
4-[2-(1H-pyridin-4-yl)vinyl]-1H-pyridine
SMILES [?]:
c1c[nH+]ccc1C=Cc2cc[nH+]cc2
InChi [?]:
InChI=1/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/p+2
InChi Info:
AuxInfo=1/1/N:7,8,1,5,10,14,2,4,11,13,6,9,3,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/rA:14nCCN+CCCCCCCCN+CC/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2+2 |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -87.3044 |
Area: | 342.34 |
Solvation: | -95.8629 |
Coulombic: | 47.655 |
Bond Count [?]
All: | 15 |
Single: | 8 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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