Molecule

ID:115372

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FO₃-
Molecular Mass
185.1723032
Exact Mass
185.0613974
Charge
-1
InChI
InChI=1S/C9H10FO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6H2/q-1
InChIKey
DSFWCFFCACHRFN-UHFFFAOYSA-N
Canonic Smiles
[O-]CC(COc1ccccc1F)O
Isomeric Smiles
O(c1c(F)cccc1)CC(O)C[O-]
Calculated Properties
JChem
Acid pKa
13.62413
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.63783956
LogD (pH = 7.4)
0.63783926
Log P
0.63783956
Molar Refractivity
55.5427
Polarizability
17.230183
Polar Surface Area
52.52
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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