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Chemical ID: 5259133
Chemical ID:
5259133
Name [?]:
bis(2-pyridyl)ammonium
SMILES [?]:
c1ccnc(c1)[NH2+]c2ccccn2
InChi [?]:
InChI=1/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,2,11,6,9,3,12,5,8,4,13,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCCNCCN+CCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N3+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.7871 |
Area: | 337.489 |
Solvation: | -33.2243 |
Coulombic: | 29.2236 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.207 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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