Molecule

ID:99672

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFS
Molecular Mass
176.6389432
Exact Mass
175.98627709
Charge
0
InChI
InChI=1S/C7H6ClFS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKey
BKBZGYSOFAPDJC-UHFFFAOYSA-N
Canonic Smiles
CSc1cccc(c1F)Cl
Isomeric Smiles
S(c1c(c(ccc1)Cl)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3482096
LogD (pH = 7.4)
3.3482096
Log P
3.3482096
Molar Refractivity
43.8381
Polarizability
16.803509
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
No Data Available
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Molecule Details
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References
Bioactivity
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