Molecule

ID:106505

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)/t7-/m0/s1
InChIKey
MXOOUCRHWJYCAL-ZETCQYMHSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)CF)NC(=O)OC(C)(C)C
Isomeric Smiles
COC(=O)C[C@H](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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation