Molecule

ID:7479

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(8)1-2-6(5)9/h1-3,9H
InChIKey
KUAPPJSILOMQPC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)S
Isomeric Smiles
c1(S)c(Cl)cc(F)cc1
Calculated Properties
JChem
Acid pKa
4.7187057
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.0540712
LogD (pH = 7.4)
1.4095484
Log P
2.8131995
Molar Refractivity
39.089
Polarizability
14.957525
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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