Molecule

ID:8043

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₄NO
Molecular Mass
193.0984328
Exact Mass
193.0150766
Charge
0
InChI
InChI=1S/C7H3F4NO/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H2,12,13)
InChIKey
XMFMIKSWEJRJQE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1)F)F)F)F)C(=O)N
Calculated Properties
JChem
Acid pKa
11.6019535
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3946941
LogD (pH = 7.4)
1.3947182
Log P
1.3946939
Molar Refractivity
36.002
Polarizability
12.572219
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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