Molecule

ID:10338

General Information
Structure
MolImage
Molecular Formula
C₈H₄FNO₂
Molecular Mass
165.1212632
Exact Mass
165.02260659
Charge
0
InChI
InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey
GKODDAXOSGGARJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)C(=O)N2
Isomeric Smiles
C1(=O)Nc2c(C1=O)cc(cc2)F
Calculated Properties
JChem
Acid pKa
8.99845
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7441145
LogD (pH = 7.4)
1.7339784
Log P
1.7442455
Molar Refractivity
40.6914
Polarizability
14.317888
Polar Surface Area
46.17
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
References
Bioactivity
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