Molecule

ID:99565

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂O₂
Molecular Mass
144.1038032
Exact Mass
144.03350563
Charge
0
InChI
InChI=1S/C5H5FN2O2/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
InChIKey
VMIFBCPINLZNNI-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(c(n1)O)F
Isomeric Smiles
n1c(c(cnc1OC)F)O
Calculated Properties
JChem
Acid pKa
11.061811
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0044426
LogD (pH = 7.4)
1.0043514
Log P
1.0044444
Molar Refractivity
31.6423
Polarizability
11.578711
Polar Surface Area
55.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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