Chemical ID: 6710383

c1cc(c(cc1[NH3+])Cl)N2CCCCC2
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

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Descriptor Annotations

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