Molecule

ID:9352

General Information
Structure
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Molecular Formula
C₆H₄F₂O
Molecular Mass
130.0921664
Exact Mass
130.02302119
Charge
0
InChI
InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1O)F
Isomeric Smiles
Oc1c(F)cccc1F
Calculated Properties
JChem
Acid pKa
7.559214
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9513468
LogD (pH = 7.4)
1.7292017
Log P
1.9550843
Molar Refractivity
28.4717
Polarizability
10.441748
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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