Molecule

ID:98181

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₂NO
Molecular Mass
131.0802264
Exact Mass
131.01827016
Charge
0
InChI
InChI=1S/C5H3F2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
InChIKey
HTLONLFPRJFFNV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)F)O
Isomeric Smiles
Fc1nc(ccc1O)F
Calculated Properties
JChem
Acid pKa
7.5124784
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5211706
LogD (pH = 7.4)
1.2844852
Log P
1.5252733
Molar Refractivity
28.3442
Polarizability
9.67198
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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