Molecule

ID:9353

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₂O
Molecular Mass
130.0921664
Exact Mass
130.02302119
Charge
0
InChI
InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
BNPWVUJOPCGHIK-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)F
Isomeric Smiles
c1c(c(cc(c1)O)F)F
Calculated Properties
JChem
Acid pKa
8.358107
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9544865
LogD (pH = 7.4)
1.9100144
Log P
1.9550843
Molar Refractivity
28.4717
Polarizability
10.439067
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
No Data Available
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Molecule Details
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References
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Bioactivity
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