Molecule

ID:98192

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-4-2-6(7)8-3-5(4)9/h2-3,9H,1H3
InChIKey
TUUUGYGFGFUHAC-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1)C)O
Isomeric Smiles
n1c(cc(c(c1)O)C)F
Calculated Properties
JChem
Acid pKa
8.880957
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5018831
LogD (pH = 7.4)
1.4881886
Log P
1.5020621
Molar Refractivity
32.1543
Polarizability
11.534555
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
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References
Bioactivity
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