Molecule

ID:68546

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₂NO₂
Molecular Mass
173.1169064
Exact Mass
173.02883485
Charge
0
InChI
InChI=1S/C7H5F2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
NORJRQVQTYNLAO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)C(=O)O)N
Isomeric Smiles
C(=O)(c1c(c(cc(c1)F)F)N)O
Calculated Properties
JChem
Acid pKa
3.9587138
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.18008837
LogD (pH = 7.4)
-1.4494281
Log P
1.7373066
Molar Refractivity
38.4474
Polarizability
13.447407
Polar Surface Area
63.32
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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