Molecule
ID:98317
General Information
Molecular Formula
C₆H₄ClFS
Molecular Mass
162.6123632
Exact Mass
161.97062703
Charge
0
InChI
InChI=1S/C6H4ClFS/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
DTSLZRFPVMQLER-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(S)cc(c1)Cl
Isomeric Smiles
Sc1cc(cc(c1)Cl)F
Calculated Properties
JChem
Acid pKa
4.7320905
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.0630894
LogD (pH = 7.4)
1.4102353
Log P
2.8131995
Molar Refractivity
39.089
Polarizability
14.947372
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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