Molecule

ID:95646

General Information
Structure
Molecular Formula
C₁₀H₁₀F₂O
Molecular Mass
184.1826064
Exact Mass
184.06997138
Charge
0
InChI
InChI=1S/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h3,5-6H,2,4H2,1H3
InChIKey
MNDPYRXCTIANDJ-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1c(F)cccc1F
Isomeric Smiles
O=C(c1c(cccc1F)F)CCC
Calculated Properties
JChem
Acid pKa
15.736658
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9614017
LogD (pH = 7.4)
2.9614017
Log P
2.9614017
Molar Refractivity
46.1215
Polarizability
17.143003
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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