Molecule

ID:51678

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂O
Molecular Mass
152.1258032
Exact Mass
152.03859101
Charge
0
InChI
InChI=1S/C7H5FN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
InChIKey
LXKVLRLIJKXICE-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2CC(=O)Nc2nc1
Isomeric Smiles
c1(cnc2c(c1)CC(=O)N2)F
Calculated Properties
JChem
Acid pKa
11.671945
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.59151536
LogD (pH = 7.4)
0.5915143
Log P
0.59153724
Molar Refractivity
37.9579
Polarizability
13.357326
Polar Surface Area
41.99
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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