Molecule

ID:68200

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey
PHENIYTVOJTIOS-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(F)ccc1C(=O)O
Isomeric Smiles
C(=O)(c1ccc(nc1C)F)O
Calculated Properties
JChem
Acid pKa
3.5705814
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8425781
LogD (pH = 7.4)
-2.2719257
Log P
1.0811591
Molar Refractivity
36.9799
Polarizability
13.33897
Polar Surface Area
50.19
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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