Molecule

ID:96232

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₆NO₄
Molecular Mass
283.1251992
Exact Mass
283.02792703
Charge
0
InChI
InChI=1S/C7H7F6NO4/c1-2-18-4(16)5(17,7(11,12)13)14-3(15)6(8,9)10/h17H,2H2,1H3,(H,14,15)
InChIKey
RZWSTPBCQMBLEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(NC(=O)C(F)(F)F)O
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OCC)O)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
1.8705953
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.49081615
LogD (pH = 7.4)
0.30314198
Log P
1.4359593
Molar Refractivity
42.7129
Polarizability
16.252941
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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