Molecule

ID:68784

General Information
Structure
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey
GJOOCAXPERKNMN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)C
Isomeric Smiles
c1(cc(c(cc1)C)F)O
Calculated Properties
JChem
Acid pKa
9.025311
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.325675
LogD (pH = 7.4)
2.3156939
Log P
2.3258038
Molar Refractivity
33.2965
Polarizability
12.37511
Polar Surface Area
20.23
Rotatable Bonds
0
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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