Molecule

ID:9614

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂O₄
Molecular Mass
186.0974232
Exact Mass
186.00768481
Charge
0
InChI
InChI=1S/C6H3FN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H
InChIKey
IRIUWJQQUVBRLV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
c1cc(c(cc1F)[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9959161
LogD (pH = 7.4)
1.9959161
Log P
1.9959161
Molar Refractivity
38.9154
Polarizability
14.113783
Polar Surface Area
86.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
19.282503
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
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References
Bioactivity
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