ChemDB: Chemical Search
Download
Chemical ID: 6799092
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|