Chemical ID: 6724118

COc1ccccc1C[NH2+]Cc2ccco2
Chemical ID:
6724118
Name [?]:
2-furylmethyl-[(2-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccccc1C[NH2+]Cc2ccco2
InChi [?]:
InChI=1/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,5,14,7,13,4,15,9,11,8,12,3,10,2,16/rA:16nCOCCCCCCCN+CCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16NO2+
All Atoms:32
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-22.3308
Area:416.158
Solvation:-32.7348
Coulombic:17.98
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.272
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.86
LogP (Chemaxon):2.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue