Molecule

ID:96982

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₅O₂
Molecular Mass
206.110596
Exact Mass
206.03662056
Charge
0
InChI
InChI=1S/C6H7F5O2/c7-5(8,6(9,10)11)3-12-1-4-2-13-4/h4H,1-3H2
InChIKey
ABTNQISXTOWQTC-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(COCC1OC1)F
Isomeric Smiles
FC(C(COCC1CO1)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.621555
LogD (pH = 7.4)
1.621555
Log P
1.621555
Molar Refractivity
31.8753
Polarizability
12.175796
Polar Surface Area
21.76
Rotatable Bonds
5
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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