Molecule
ID:19135
General Information
Molecular Formula
C₅H₉F₂NO₂
Molecular Mass
153.1272664
Exact Mass
153.06013497
Charge
0
InChI
InChI=1S/C5H9F2NO2/c1-5(6,7)4(10)8-2-3-9/h9H,2-3H2,1H3,(H,8,10)
InChIKey
QGRLXCZSOWEORV-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)C(F)(F)C
Isomeric Smiles
C(=O)(C(C)(F)F)NCCO
Calculated Properties
JChem
Acid pKa
8.395012
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.60557306
LogD (pH = 7.4)
-0.6419507
Log P
-0.6050834
Molar Refractivity
30.7972
Polarizability
11.573371
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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