Molecule

ID:38386

General Information
Structure
MolImage
Molecular Formula
C₅H₄FNO
Molecular Mass
113.0897632
Exact Mass
113.02769197
Charge
0
InChI
InChI=1S/C5H4FNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey
UEQRKEWMEMJXQO-UHFFFAOYSA-N
Canonic Smiles
Oc1cccnc1F
Isomeric Smiles
c1cnc(c(c1)O)F
Calculated Properties
JChem
Acid pKa
7.6905227
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.98591423
LogD (pH = 7.4)
0.8142003
Log P
0.98864067
Molar Refractivity
27.1131
Polarizability
9.792748
Polar Surface Area
33.12
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
No Data Available
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Molecule Details
References
Bioactivity
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