Molecule

ID:50080

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClFO₂
Molecular Mass
228.6473032
Exact Mass
228.03533546
Charge
0
InChI
InChI=1S/C11H10ClFO2/c12-10-4-9(13)3-8(5-14)11(10)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey
BQAAPKHKVBWNIP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cc(c1OCC1CC1)Cl
Isomeric Smiles
c1(c(c(cc(c1)F)Cl)OCC1CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0554008
LogD (pH = 7.4)
3.0554008
Log P
3.0554008
Molar Refractivity
56.0684
Polarizability
21.186632
Polar Surface Area
26.3
Rotatable Bonds
4
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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