Molecule

ID:38203

General Information
Structure
MolImage
Molecular Formula
C₅H₄FNO
Molecular Mass
113.0897632
Exact Mass
113.02769197
Charge
0
InChI
InChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKey
AJRUXHIEYSYRQJ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(n1)F
Isomeric Smiles
c1c(nc(cc1)F)O
Calculated Properties
JChem
Acid pKa
10.436443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5830933
LogD (pH = 7.4)
1.582704
Log P
1.5830982
Molar Refractivity
27.4266
Polarizability
9.795043
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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