Molecule

ID:6559

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃N₂O₂
Molecular Mass
192.0954296
Exact Mass
192.01466201
Charge
0
InChI
InChI=1S/C6H3F3N2O2/c7-2-1-3(11(12)13)6(10)5(9)4(2)8/h1H,10H2
InChIKey
ILENVKAVEFKZSD-UHFFFAOYSA-N
Canonic Smiles
Fc1cc([N+](=O)[O-])c(c(c1F)F)N
Isomeric Smiles
Fc1c(F)c(F)c(c(c1)[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
11.859117
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1624098
LogD (pH = 7.4)
2.1623957
Log P
2.1624098
Molar Refractivity
37.7281
Polarizability
12.989997
Polar Surface Area
69.16
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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