Molecule

ID:8981

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O₂
Molecular Mass
160.1181464
Exact Mass
160.03358587
Charge
0
InChI
InChI=1S/C7H6F2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3
InChIKey
CKKAZWYLHGNVDZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1F)F)O
Isomeric Smiles
c1c(c(c(c(c1)O)F)F)OC
Calculated Properties
JChem
Acid pKa
8.10222
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7963372
LogD (pH = 7.4)
1.7194182
Log P
1.7974131
Molar Refractivity
34.9349
Polarizability
13.003739
Polar Surface Area
29.46
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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