Molecule

ID:65113

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₂NO₃
Molecular Mass
235.2278064
Exact Mass
235.10199979
Charge
0
InChI
InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
InChIKey
GDZBFUOJMJSIAZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=O)C(C1)(F)F)OC(C)(C)C
Isomeric Smiles
C1(CN(CCC1=O)C(=O)OC(C)(C)C)(F)F
Calculated Properties
JChem
Acid pKa
14.660783
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8412863
LogD (pH = 7.4)
1.8412863
Log P
1.8412863
Molar Refractivity
52.2827
Polarizability
20.09373
Polar Surface Area
46.61
Rotatable Bonds
2
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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