Molecule

ID:95656

General Information
Structure
Molecular Formula
C₉H₅FN₂O₂
Molecular Mass
192.1466032
Exact Mass
192.03350563
Charge
0
InChI
InChI=1S/C9H5FN2O2/c10-8-6(4-11)2-1-3-7(8)9(14)12-5-13/h1-3,5H,(H,12,13,14)
InChIKey
UJMOASKQMPKGKK-UHFFFAOYSA-N
Canonic Smiles
Fc1c(cccc1C#N)C(=O)NC=O
Isomeric Smiles
N#Cc1cccc(c1F)C(=O)NC=O
Calculated Properties
JChem
Acid pKa
7.8983865
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.75590795
LogD (pH = 7.4)
0.6394878
Log P
0.7625938
Molar Refractivity
46.1498
Polarizability
16.72148
Polar Surface Area
69.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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