Molecule

ID:18258

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)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
InChIKey
MMWXPDDADHYFFS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccccc1F)C
Isomeric Smiles
C(=O)(C(Oc1c(F)cccc1)C)O
Calculated Properties
JChem
Acid pKa
3.27485
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20167124
LogD (pH = 7.4)
-1.4262831
Log P
2.005024
Molar Refractivity
43.3161
Polarizability
16.811363
Polar Surface Area
46.53
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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