Molecule
ID:94197
General Information
Molecular Formula
C₈HF₄NO₂
Molecular Mass
219.0926528
Exact Mass
218.99434116
Charge
0
InChI
InChI=1S/C8HF4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChIKey
GXHIOZHDNIONPT-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)c2c1c(F)c(c(c2F)F)F
Isomeric Smiles
N1C(=O)c2c(c(c(c(c2F)F)F)F)C1=O
Calculated Properties
JChem
Acid pKa
6.8425503
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2450486
LogD (pH = 7.4)
0.61799014
Log P
1.2642307
Molar Refractivity
40.1804
Polarizability
13.748651
Polar Surface Area
46.17
Rotatable Bonds
0
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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