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Chemical ID: 6710383
Chemical ID:
6710383
Name [?]:
[3-chloro-4-(1-piperidyl)phenyl]ammonium
SMILES [?]:
c1cc(c(cc1[NH3+])Cl)N2CCCCC2
InChi [?]:
InChI=1/C11H15ClN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2/p+1
InChi Info:
AuxInfo=1/1/N:12,11,13,1,2,10,14,5,6,4,3,8,7,9/E:(2,3)(6,7)/rA:14nCCCCCCN+ClNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClN2+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.3284 |
Area: | 374.543 |
Solvation: | -41.692 |
Coulombic: | 38.9352 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.711 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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