Molecule

ID:122021

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClFO₃
Molecular Mass
240.6149432
Exact Mass
239.99894995
Charge
0
InChI
InChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey
MGUVQRGVUWXOGD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)c1ccc(c(c1)Cl)F
Isomeric Smiles
o1c(ccc1c1cc(c(cc1)F)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1393757
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.67102045
LogD (pH = 7.4)
-0.45046324
Log P
3.0050485
Molar Refractivity
55.74
Polarizability
22.117508
Polar Surface Area
50.44
Rotatable Bonds
2
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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