Molecule

ID:100530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₂
Molecular Mass
182.1915432
Exact Mass
182.07430781
Charge
0
InChI
InChI=1S/C10H11FO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChIKey
SQXQCZIODUUTAD-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(c(c1)F)OC
Isomeric Smiles
O=C(c1cc(c(cc1)OC)F)CC
Calculated Properties
JChem
Acid pKa
16.646616
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2164598
LogD (pH = 7.4)
2.2164598
Log P
2.2164598
Molar Refractivity
47.7673
Polarizability
18.107708
Polar Surface Area
26.3
Rotatable Bonds
3
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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