Molecule

ID:66181

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀F₂O₂
Molecular Mass
176.1606064
Exact Mass
176.064886
Charge
0
InChI
InChI=1S/C8H10F2O2/c9-8(10)7(12)5-3-1-2-4-6(5)11/h5,8H,1-4H2
InChIKey
IFVACMSMOAHYOX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC1C(=O)C(F)F
Isomeric Smiles
C1(=O)C(CCCC1)C(=O)C(F)F
Calculated Properties
JChem
Acid pKa
7.170986
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9580798
LogD (pH = 7.4)
1.5425289
Log P
1.9671726
Molar Refractivity
38.229
Polarizability
14.543795
Polar Surface Area
34.14
Rotatable Bonds
2
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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