Molecule

ID:98305

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClFO₃
Molecular Mass
230.6201232
Exact Mass
230.01460002
Charge
0
InChI
InChI=1S/C10H8ClFO3/c11-7-3-6(4-8(12)5-7)9(13)1-2-10(14)15/h3-5H,1-2H2,(H,14,15)
InChIKey
TYZQVKLGTNMCBN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)c1cc(F)cc(c1)Cl
Isomeric Smiles
Fc1cc(cc(c1)Cl)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3691194
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.014570648
LogD (pH = 7.4)
-1.3080134
Log P
2.1025026
Molar Refractivity
52.3753
Polarizability
19.99008
Polar Surface Area
54.37
Rotatable Bonds
4
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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