Molecule

ID:19198

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₃
Molecular Mass
184.1643632
Exact Mass
184.05357237
Charge
0
InChI
InChI=1S/C9H9FO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
HTFQCXHHEIUZPM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCOc1ccccc1F
Isomeric Smiles
C(=O)(CCOc1c(F)cccc1)O
Calculated Properties
JChem
Acid pKa
3.7109506
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.114954546
LogD (pH = 7.4)
-1.6277559
Log P
1.6732725
Molar Refractivity
43.5216
Polarizability
16.811968
Polar Surface Area
46.53
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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