Molecule

ID:7226

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey
GKQDDKKGDIVDAG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)O
Isomeric Smiles
c1c(cc(c(c1)O)C)F
Calculated Properties
JChem
Acid pKa
9.6056185
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.32577
LogD (pH = 7.4)
2.323122
Log P
2.3258038
Molar Refractivity
33.2965
Polarizability
12.375107
Polar Surface Area
20.23
Rotatable Bonds
0
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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