Molecule

ID:7655

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClFO₂
Molecular Mass
214.6207232
Exact Mass
214.0196854
Charge
0
InChI
InChI=1S/C10H8ClFO2/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2-5H,1H3,(H,13,14)/b5-3+
InChIKey
XURAOUQFLKLYBV-HWKANZROSA-N
Canonic Smiles
OC(=O)/C=C/c1c(F)ccc(c1Cl)C
Isomeric Smiles
c1cc(c(c(c1F)/C=C/C(=O)O)Cl)C
Calculated Properties
JChem
Acid pKa
3.8261285
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7192905
LogD (pH = 7.4)
0.14606617
Log P
3.3962543
Molar Refractivity
53.1223
Polarizability
19.593962
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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