Molecule

ID:96554

General Information
Structure
Molecular Formula
C₁₀H₆ClFOS
Molecular Mass
228.6704432
Exact Mass
227.98119171
Charge
0
InChI
InChI=1S/C10H6ClFOS/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-4H,5H2
InChIKey
OAEBKLVLCWGKQC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2C(=C(CSc2cc1)C=O)Cl
Isomeric Smiles
S1CC(=C(c2cc(ccc12)F)Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4320307
LogD (pH = 7.4)
2.4320307
Log P
2.4320307
Molar Refractivity
57.7457
Polarizability
21.454208
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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