Molecule

ID:99840

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₅O₃
Molecular Mass
222.109996
Exact Mass
222.03153518
Charge
0
InChI
InChI=1S/C6H7F5O3/c1-2-13-4(12)14-3-5(7,8)6(9,10)11/h2-3H2,1H3
InChIKey
NBYIBDCXTMTKLX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)OCC(C(F)(F)F)(F)F
Isomeric Smiles
O(CC(F)(F)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5543864
LogD (pH = 7.4)
2.5543864
Log P
2.5543864
Molar Refractivity
33.9031
Polarizability
13.086888
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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