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Chemical ID: 7121276
Chemical ID:
7121276
Name [?]:
cyclohexyl-(4-pyridylmethyl)ammonium
SMILES [?]:
c1cnccc1C[NH2+]C2CCCCC2
InChi [?]:
InChI=1/C12H18N2/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6-9,12,14H,1-5,10H2/p+1
InChi Info:
AuxInfo=1/1/N:12,11,13,10,14,1,5,2,4,7,6,9,3,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCNCCCCN+CCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N2+ |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.8926 |
Area: | 379.196 |
Solvation: | -34.3725 |
Coulombic: | 30.6962 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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