Molecule

ID:67991

General Information
Structure
MolImage
Molecular Formula
C₅H₄FNO
Molecular Mass
113.0897632
Exact Mass
113.02769197
Charge
0
InChI
InChI=1S/C5H4FNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChIKey
BRLSDLHMGRDAPF-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(c1)F
Isomeric Smiles
c1(cc(ccn1)O)F
Calculated Properties
JChem
Acid pKa
9.129373
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9885406
LogD (pH = 7.4)
0.980772
Log P
0.98864067
Molar Refractivity
27.1131
Polarizability
9.789548
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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