Chemical ID: 6799092

c1cnccc1C[NH2+]CCCCCC(=O)[O-]
Chemical ID:
6799092
Name [?]:
6-(4-pyridylmethylammonio)hexanoate
SMILES [?]:
c1cnccc1C[NH2+]CCCCCC(=O)[O-]
InChi [?]:
InChI=1/C12H18N2O2/c15-12(16)4-2-1-3-7-14-10-11-5-8-13-9-6-11/h5-6,8-9,14H,1-4,7,10H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:11,12,10,13,1,5,9,2,4,7,6,14,3,8,15,16/E:(5,6)(8,9)(15,16)/rA:16nCCNCCCCN+CCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:34
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-48.6727
Area:450.114
Solvation:-59.9255
Coulombic:14.7213
Bond Count [?]
All:16
Single:12
Double:4
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.42
LogP (Chemaxon):-2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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