Molecule

ID:7241

General Information
Structure
Molecular Formula
C₆H₄FNO₃
Molecular Mass
157.0992632
Exact Mass
157.01752121
Charge
0
InChI
InChI=1S/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey
QQURWFRNETXFTN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)O)[N+](=O)[O-]
Isomeric Smiles
O=[N+]([O-])c1c(O)cc(cc1)F
Calculated Properties
JChem
Acid pKa
5.6263766
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.513202
LogD (pH = 7.4)
0.17508571
Log P
1.7523667
Molar Refractivity
34.5758
Polarizability
12.690181
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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