Molecule

ID:22254

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3
InChIKey
MASVTBZQAKGYJA-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)[N+](=O)[O-])F
Isomeric Smiles
c1(cnc(c(c1)[N+](=O)[O-])F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7456115
LogD (pH = 7.4)
1.7456115
Log P
1.7456115
Molar Refractivity
37.4981
Polarizability
12.923381
Polar Surface Area
58.71
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
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Molecule Details
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References
Bioactivity
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