Molecule

ID:8313

General Information
Structure
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Molecular Formula
C₆H₅FO
Molecular Mass
112.1017032
Exact Mass
112.032443
Charge
0
InChI
InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
SJTBRFHBXDZMPS-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)F
Isomeric Smiles
c1(F)cc(O)ccc1
Calculated Properties
JChem
Acid pKa
8.568224
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8120139
LogD (pH = 7.4)
1.7840471
Log P
1.8123825
Molar Refractivity
28.2553
Polarizability
10.620208
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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