Molecule

ID:93262

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₄NO₂
Molecular Mass
247.1458128
Exact Mass
247.02564129
Charge
0
InChI
InChI=1S/C10H5F4NO2/c11-6-5-3(1-4(16)17)2-15-10(5)9(14)8(13)7(6)12/h2,15H,1H2,(H,16,17)
InChIKey
ULAKIDXRHVHYMK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c[nH]c2c1c(F)c(F)c(c2F)F
Isomeric Smiles
[nH]1c2c(c(c(c(c2F)F)F)F)c(c1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1045341
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.08586329
LogD (pH = 7.4)
-1.1802219
Log P
2.2805638
Molar Refractivity
49.3177
Polarizability
18.839998
Polar Surface Area
53.09
Rotatable Bonds
2
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
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References
Bioactivity
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