Molecule

ID:22432

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey
OMGVVVBQKWNRQA-UHFFFAOYSA-N
Canonic Smiles
Cc1c(O)cccc1F
Isomeric Smiles
c1(c(c(ccc1)F)C)O
Calculated Properties
JChem
Acid pKa
9.038502
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3256788
LogD (pH = 7.4)
2.3159928
Log P
2.3258038
Molar Refractivity
33.2965
Polarizability
12.376549
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
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References
Bioactivity
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