Molecule

ID:93449

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₅OS
Molecular Mass
266.616076
Exact Mass
265.95915453
Charge
0
InChI
InChI=1S/C7H4ClF5OS/c8-7(14)5-1-3-6(4-2-5)15(9,10,11,12)13/h1-4H
InChIKey
NNFDYUZNKYWPGP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)C(=O)Cl)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9196
LogD (pH = 7.4)
3.9196
Log P
3.9196
Molar Refractivity
49.8513
Polarizability
17.973366
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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