Molecule

ID:93862

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O₂
Molecular Mass
160.1181464
Exact Mass
160.03358587
Charge
0
InChI
InChI=1S/C7H6F2O2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKey
MGCPGVDPXCHXGO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)c(c(c1)F)O
Isomeric Smiles
Oc1c(cc(cc1F)OC)F
Calculated Properties
JChem
Acid pKa
8.004745
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7960685
LogD (pH = 7.4)
1.7019736
Log P
1.7974131
Molar Refractivity
34.9349
Polarizability
13.005632
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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