Molecule
ID:44832
General Information
Molecular Formula
C₇H₃ClF₂O₃
Molecular Mass
208.5467264
Exact Mass
207.97387808
Charge
0
InChI
InChI=1S/C7H3ClF2O3/c8-5-4(7(12)13)2(9)1-3(11)6(5)10/h1,11H,(H,12,13)
InChIKey
WNZHHCPIHPCXAW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)cc(c(c1Cl)F)O
Isomeric Smiles
c1(c(c(c(cc1F)O)F)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.3528934
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7863832
LogD (pH = 7.4)
-1.6510537
Log P
2.216712
Molar Refractivity
40.5327
Polarizability
15.045689
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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