Molecule

ID:65417

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇F₂NO₄
Molecular Mass
265.2537864
Exact Mass
265.11256447
Charge
0
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-7(8(15)16)4-11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)
InChIKey
MSNKMLCRSUWLHZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Isomeric Smiles
C1(CN(CC(C1)(F)F)C(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.4507937
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.26179126
LogD (pH = 7.4)
-1.5016305
Log P
1.3467053
Molar Refractivity
58.0938
Polarizability
22.446669
Polar Surface Area
66.84
Rotatable Bonds
3
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
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References
Bioactivity
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