Molecule
ID:97891
General Information
Molecular Formula
C₈H₉F₆NO₂
Molecular Mass
265.1529792
Exact Mass
265.05374785
Charge
0
InChI
InChI=1S/C8H9F6NO2/c9-7(10,11)5(16)4-1-2-15(3-4)6(17)8(12,13)14/h4-5,16H,1-3H2
InChIKey
GXPYFBLNFHVSOK-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)C1CCN(C1)C(=O)C(F)(F)F
Isomeric Smiles
N1(CCC(C1)C(O)C(F)(F)F)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.220708
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9399033
LogD (pH = 7.4)
0.9398386
Log P
0.93990415
Molar Refractivity
44.2323
Polarizability
16.208506
Polar Surface Area
40.54
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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