Molecule

ID:64706

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₂NO₄
Molecular Mass
251.2272064
Exact Mass
251.09691441
Charge
0
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1
InChIKey
WTMZYKCXBXPVPT-LURJTMIESA-N
Canonic Smiles
O=C(N1CC(C[C@H]1C(=O)O)(F)F)OC(C)(C)C
Isomeric Smiles
C1C(CN([C@@H]1C(=O)O)C(=O)OC(C)(C)C)(F)F
Calculated Properties
JChem
Acid pKa
3.9381273
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.010707035
LogD (pH = 7.4)
-1.6138012
Log P
1.5796751
Molar Refractivity
52.6692
Polarizability
20.65405
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
References
Bioactivity
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