Molecule

ID:54382

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₂
Molecular Mass
153.1105632
Exact Mass
153.02260659
Charge
0
InChI
InChI=1S/C7H4FNO2/c8-5(4-9)7(10)6-2-1-3-11-6/h1-3,5H
InChIKey
RNZYZZJSUQXGBJ-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(=O)c1ccco1)F
Isomeric Smiles
C(=O)(c1occc1)C(C#N)F
Calculated Properties
JChem
Acid pKa
12.2068405
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7172505
LogD (pH = 7.4)
0.71724385
Log P
0.7172506
Molar Refractivity
33.8212
Polarizability
12.520837
Polar Surface Area
54.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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