Molecule

ID:98188

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClFNO
Molecular Mass
149.5507032
Exact Mass
149.00436969
Charge
0
InChI
InChI=1S/C5H4FNO.ClH/c6-4-3-7-2-1-5(4)8;/h1-3H,(H,7,8);1H
InChIKey
KSQMXSHDQWGUCK-UHFFFAOYSA-N
Canonic Smiles
Oc1ccncc1F.Cl
Isomeric Smiles
n1ccc(c(c1)F)O.Cl
Calculated Properties
JChem
Acid pKa
9.725985
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.594656
LogD (pH = 7.4)
0.592709
Log P
0.59471
Molar Refractivity
26.0984
Polarizability
9.790051
Polar Surface Area
33.12
Rotatable Bonds
0
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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