Molecule

ID:11768

General Information
Structure
MolImage
Molecular Formula
C₈H₄FNO₂
Molecular Mass
165.1212632
Exact Mass
165.02260659
Charge
0
InChI
InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChIKey
HGBGVEOXPHGSOS-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1=O)cccc2F
Isomeric Smiles
C1(=O)c2c(NC1=O)c(ccc2)F
Calculated Properties
JChem
Acid pKa
8.034222
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7430413
LogD (pH = 7.4)
1.6585748
Log P
1.7442455
Molar Refractivity
40.6914
Polarizability
14.318625
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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