Molecule

ID:94489

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₂NO₃
Molecular Mass
225.1484064
Exact Mass
225.02374947
Charge
0
InChI
InChI=1S/C10H5F2NO3/c11-6-1-5(2-7(12)3-6)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
InChIKey
ATNKCUFWAHMBGS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)cc(c1)c1ocnc1C(=O)O
Isomeric Smiles
Fc1cc(cc(c1)F)c1c(nco1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9089973
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21416724
LogD (pH = 7.4)
-1.3977238
Log P
1.8112007
Molar Refractivity
49.0981
Polarizability
19.132446
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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