Molecule

ID:97152

General Information
Structure
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Molecular Formula
C₆H₅FO
Molecular Mass
112.1017032
Exact Mass
112.032443
Charge
0
InChI
InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1F
Isomeric Smiles
Oc1c(cccc1)F
Calculated Properties
JChem
Acid pKa
8.445307
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8118938
LogD (pH = 7.4)
1.7752103
Log P
1.8123825
Molar Refractivity
28.2553
Polarizability
10.620551
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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