Molecule

ID:61834

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₂O₂
Molecular Mass
186.1554264
Exact Mass
186.04923594
Charge
0
InChI
InChI=1S/C9H8F2O2/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5,8H,1H3
InChIKey
KGOFBYAEKGHAQG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C(F)F
Isomeric Smiles
C(=O)(c1c(cccc1)C(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3658109
LogD (pH = 7.4)
2.3658109
Log P
2.3658109
Molar Refractivity
43.1673
Polarizability
16.130728
Polar Surface Area
26.3
Rotatable Bonds
3
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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