Molecule

ID:116330

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClFOS
Molecular Mass
204.6490432
Exact Mass
203.98119171
Charge
0
InChI
InChI=1S/C8H6ClFOS/c9-8(11)5-12-7-3-1-6(10)2-4-7/h1-4H,5H2
InChIKey
XDJIHFGMRMRRAF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CSc1ccc(cc1)F
Isomeric Smiles
C(=O)(CSc1ccc(F)cc1)Cl
Calculated Properties
JChem
Acid pKa
18.28339
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.444144
LogD (pH = 7.4)
2.444144
Log P
2.444144
Molar Refractivity
49.124
Polarizability
18.724276
Polar Surface Area
17.07
Rotatable Bonds
3
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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