Molecule

ID:54157

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChIKey
PGCFLXMMCWKPDU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncc(c1)F
Isomeric Smiles
c1(cncc(c1)C(=O)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9017446
LogD (pH = 7.4)
0.9017522
Log P
0.9017523
Molar Refractivity
36.1428
Polarizability
13.637939
Polar Surface Area
39.19
Rotatable Bonds
2
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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