Molecule

ID:13747

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂O₂
Molecular Mass
154.0986232
Exact Mass
154.01785557
Charge
0
InChI
InChI=1S/C6H3FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,(H2,9,10,11)
InChIKey
JWNUZZLUDDUXPO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)c(nc1O)O
Isomeric Smiles
c1(c(cc(c(n1)O)F)C#N)O
Calculated Properties
JChem
Acid pKa
8.957636
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3360069
LogD (pH = 7.4)
1.3244723
Log P
1.3361559
Molar Refractivity
34.4279
Polarizability
12.375508
Polar Surface Area
77.14
Rotatable Bonds
0
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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