Molecule

ID:100650

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃OS
Molecular Mass
228.6192696
Exact Mass
227.96234809
Charge
0
InChI
InChI=1S/C7H4ClF3OS/c8-5-1-3-6(4-2-5)13(12)7(9,10)11/h1-4H
InChIKey
PQEHUUVWOJMAGQ-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)c1ccc(cc1)Cl)(F)F
Isomeric Smiles
S(=O)(c1ccc(cc1)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4191158
LogD (pH = 7.4)
3.4191158
Log P
3.4191158
Molar Refractivity
45.22
Polarizability
17.185093
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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