Molecule

ID:7756

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey
ZDPAWHACYDRYIW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)C(=O)C)F
Calculated Properties
JChem
Acid pKa
16.150208
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6735953
LogD (pH = 7.4)
1.6735953
Log P
1.6735953
Molar Refractivity
36.6772
Polarizability
13.731581
Polar Surface Area
17.07
Rotatable Bonds
1
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
References
Bioactivity
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