Molecule

ID:17018

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₃
Molecular Mass
184.1643632
Exact Mass
184.05357237
Charge
0
InChI
InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKey
WIVLMXDHGGRLMP-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)Oc1ccc(cc1)F
Isomeric Smiles
C(=O)(C(Oc1ccc(F)cc1)C)O
Calculated Properties
JChem
Acid pKa
3.2531621
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.22218366
LogD (pH = 7.4)
-1.4305837
Log P
2.005024
Molar Refractivity
43.3161
Polarizability
16.810888
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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