Molecule

ID:7536

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₃
Molecular Mass
157.0992632
Exact Mass
157.01752121
Charge
0
InChI
InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChIKey
CSSGKHVRDGATJL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
c1(O)cc(F)c([N+](=O)[O-])cc1
Calculated Properties
JChem
Acid pKa
6.2575645
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6830201
LogD (pH = 7.4)
0.62509215
Log P
1.7523667
Molar Refractivity
34.5758
Polarizability
12.688321
Polar Surface Area
63.37
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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