Molecule

ID:99772

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)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
InChIKey
CNSGPAMLXMBLNA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(N)c(F)c(c(c1F)F)F
Isomeric Smiles
OC(=O)c1c(c(c(c(c1F)F)F)F)N
Calculated Properties
JChem
Acid pKa
3.3406396
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.121514745
LogD (pH = 7.4)
-1.3944603
Log P
2.0227106
Molar Refractivity
38.8802
Polarizability
13.348136
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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