Chemical ID: 7193529

COc1cccc(c1)C[NH2+]CCc2cccc(c2)F
Chemical ID:
7193529
Name [?]:
2-(3-fluorophenyl)ethyl-[(3-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1cccc(c1)C[NH2+]CCc2cccc(c2)F
InChi [?]:
InChI=1/C16H18FNO/c1-19-16-7-3-5-14(11-16)12-18-9-8-13-4-2-6-15(17)10-13/h2-7,10-11,18H,8-9,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,15,5,14,6,16,4,12,11,18,8,9,13,7,17,3,19,10,2/rA:19nCOCCCCCCCN+CCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19FNO+
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-25.9504
Area:474.606
Solvation:-37.8156
Coulombic:24.2387
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.327
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):3.49

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