Molecule

ID:65162

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇F₂NO₃
Molecular Mass
237.2436864
Exact Mass
237.11764985
Charge
0
InChI
InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14/h7,14H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
KQLZXWXCBWPDAD-ZETCQYMHSA-N
Canonic Smiles
OC[C@@H]1CC(CN1C(=O)OC(C)(C)C)(F)F
Isomeric Smiles
C1C(CN([C@@H]1CO)C(=O)OC(C)(C)C)(F)F
Calculated Properties
JChem
Acid pKa
15.0792885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2594005
LogD (pH = 7.4)
1.2594005
Log P
1.2594005
Molar Refractivity
52.8018
Polarizability
20.618832
Polar Surface Area
49.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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