Molecule

ID:52384

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₂
Molecular Mass
186.1554264
Exact Mass
186.04923594
Charge
0
InChI
InChI=1S/C9H8F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKey
XAPRKUUFZCSOTE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccc(cc1F)F
Isomeric Smiles
C(=O)(CCc1c(cc(cc1)F)F)O
Calculated Properties
JChem
Acid pKa
3.5198326
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.368367
LogD (pH = 7.4)
-1.0284005
Log P
2.3409667
Molar Refractivity
42.3994
Polarizability
15.877243
Polar Surface Area
37.3
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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