Molecule

ID:10598

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₄NO₂
Molecular Mass
209.0978328
Exact Mass
209.00999122
Charge
0
InChI
InChI=1S/C7H3F4NO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H,13,14)
InChIKey
WTNSXWSOTDBWOR-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)c(F)c(c(c1F)C(=O)O)F
Isomeric Smiles
c1(c(c(c(c(c1F)C(=O)O)F)F)N)F
Calculated Properties
JChem
Acid pKa
2.5992577
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4368709
LogD (pH = 7.4)
-2.1341107
Log P
1.3727105
Molar Refractivity
38.8802
Polarizability
13.351287
Polar Surface Area
63.32
Rotatable Bonds
1
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
References
Bioactivity
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