Molecule

ID:9486

General Information
Structure
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Molecular Formula
C₆H₉F₃O₂
Molecular Mass
170.1296696
Exact Mass
170.05546419
Charge
0
InChI
InChI=1S/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
InChIKey
CLDYDTBRUJPBGU-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(F)(F)F
Isomeric Smiles
O(C(=O)C(F)(F)F)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.378776
LogD (pH = 7.4)
2.378776
Log P
2.378776
Molar Refractivity
32.2966
Polarizability
12.199558
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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