Chemical ID: 6734997

c1ccc(cc1)C[NH2+]Cc2ccco2
Chemical ID:
6734997
Name [?]:
benzyl-(2-furylmethyl)ammonium
SMILES [?]:
c1ccc(cc1)C[NH2+]Cc2ccco2
InChi [?]:
InChI=1/C12H13NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,11,13,7,9,4,10,8,14/E:(2,3)(5,6)/rA:14nCCCCCCCN+CCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14NO+
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-24.8603
Area:383.61
Solvation:-34.4506
Coulombic:27.5151
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.246
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):2.3

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