Molecule

ID:98284

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClF₅S
Molecular Mass
238.605976
Exact Mass
237.96423991
Charge
0
InChI
InChI=1S/C6H4ClF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey
AZOPETVFRMSFNY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)Cl)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4472
LogD (pH = 7.4)
4.4472
Log P
4.4472
Molar Refractivity
43.5414
Polarizability
16.024208
Polar Surface Area
0.0
Rotatable Bonds
1
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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