Molecule

ID:56739

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClF₂O₂
Molecular Mass
234.6270664
Exact Mass
234.02591365
Charge
0
InChI
InChI=1S/C10H9ClF2O2/c1-10(2,9(11)14)15-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3
InChIKey
DCKQLPCCVQGVPK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OC(C(=O)Cl)(C)C
Isomeric Smiles
C(Oc1c(cc(cc1)F)F)(C(=O)Cl)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1138215
LogD (pH = 7.4)
3.1138215
Log P
3.1138215
Molar Refractivity
52.1043
Polarizability
19.868502
Polar Surface Area
26.3
Rotatable Bonds
3
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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