Molecule

ID:18101

General Information
Structure
MolImage
Molecular Formula
C₆H₈F₂O
Molecular Mass
134.1239264
Exact Mass
134.05432132
Charge
0
InChI
InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChIKey
NYYSPVRERVXMLJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1)(F)F
Isomeric Smiles
C1(=O)CCC(CC1)(F)F
Calculated Properties
JChem
Acid pKa
15.762159
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.97505045
LogD (pH = 7.4)
0.97505045
Log P
0.97505045
Molar Refractivity
28.8432
Polarizability
10.761178
Polar Surface Area
17.07
Rotatable Bonds
0
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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