Chemical ID: 4716416

c1cc(sc1Cc2c(cc(cn2)C(F)(F)F)Cl)S(=O)(=O)O
Chemical ID:
4716416
Name [?]:
5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]thiophene-2-sulfonic acid
SMILES [?]:
c1cc(sc1Cc2c(cc(cn2)C(F)(F)F)Cl)S(=O)(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H7ClF3NO3S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.81823
Area:484.746
Solvation:-3.30041
Coulombic:-39.2701
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.758
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):-0.97

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