Molecule

ID:7478

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClFS
Molecular Mass
162.6123632
Exact Mass
161.97062703
Charge
0
InChI
InChI=1S/C6H4ClFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey
SFSHSIFYTWIGSF-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(S)cc(c(F)cc1)Cl
Calculated Properties
JChem
Acid pKa
4.7808785
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.0960248
LogD (pH = 7.4)
1.412915
Log P
2.8131995
Molar Refractivity
39.089
Polarizability
14.967779
Polar Surface Area
0.0
Rotatable Bonds
0
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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