Molecule

ID:96465

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFOS
Molecular Mass
266.7184232
Exact Mass
265.99684178
Charge
0
InChI
InChI=1S/C13H8ClFOS/c14-13-7-5-11(17-13)4-6-12(16)9-2-1-3-10(15)8-9/h1-8H
InChIKey
HQHCIXIVEMIPLA-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)/C=C/c1ccc(s1)Cl
Isomeric Smiles
s1c(ccc1/C=C/C(=O)c1cc(ccc1)F)Cl
Calculated Properties
JChem
Acid pKa
15.327231
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.715949
LogD (pH = 7.4)
4.715949
Log P
4.715949
Molar Refractivity
67.948
Polarizability
25.606297
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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