Molecule

ID:105632

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈FNO₅
Molecular Mass
263.2627232
Exact Mass
263.1169009
Charge
0
InChI
InChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(C(=O)CF)NC(=O)OC(C)(C)C
Isomeric Smiles
COC(=O)CC(NC(=O)OC(C)(C)C)C(=O)CF
Calculated Properties
JChem
Acid pKa
12.884029
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.82093745
LogD (pH = 7.4)
0.8209362
Log P
0.82093745
Molar Refractivity
59.736
Polarizability
23.669712
Polar Surface Area
81.7
Rotatable Bonds
8
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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