Molecule

ID:32945

General Information
Structure
MolImage
Molecular Formula
C₅H₄FNO
Molecular Mass
113.0897632
Exact Mass
113.02769197
Charge
0
InChI
InChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
KLULSYPVWLJZAO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cn1)F
Isomeric Smiles
c1(cnc(cc1)O)F
Calculated Properties
JChem
Acid pKa
11.016919
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1891656
LogD (pH = 7.4)
1.1890638
Log P
1.1891675
Molar Refractivity
26.4119
Polarizability
9.795545
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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