Molecule

ID:57466

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNO₂
Molecular Mass
179.1478432
Exact Mass
179.03825666
Charge
0
InChI
InChI=1S/C9H6FNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
VHJRLOILUKMNEY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)C(=O)N2C
Isomeric Smiles
c1cc(cc2c1N(C)C(=O)C2=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.95831156
LogD (pH = 7.4)
0.95831156
Log P
0.95831156
Molar Refractivity
43.8073
Polarizability
16.130821
Polar Surface Area
37.38
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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