Molecule

ID:9942

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁F₄NO
Molecular Mass
201.1619528
Exact Mass
201.07767686
Charge
0
InChI
InChI=1S/C7H11F4NO/c1-3-12(4-2)6(13)5(8)7(9,10)11/h5H,3-4H2,1-2H3
InChIKey
RQUXJBKONYSFAU-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(C(F)(F)F)F)CC
Isomeric Smiles
N(CC)(CC)C(=O)C(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.672168
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3433268
LogD (pH = 7.4)
0.57128704
Log P
1.371576
Molar Refractivity
38.962
Polarizability
14.298534
Polar Surface Area
20.31
Rotatable Bonds
4
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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