Molecule

ID:40733

General Information
Structure
MolImage
Molecular Formula
C₈H₈FN₃O₂
Molecular Mass
197.1664232
Exact Mass
197.06005473
Charge
0
InChI
InChI=1S/C8H8FN3O2/c9-5-1-3-6(4-2-5)11-7(13)8(14)12-10/h1-4H,10H2,(H,11,13)(H,12,14)
InChIKey
OOCZYNXLBRXYKE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(C(=O)Nc1ccc(F)cc1)NN
Calculated Properties
JChem
Acid pKa
8.959758
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.20945928
LogD (pH = 7.4)
0.19938344
Log P
0.20983396
Molar Refractivity
49.2386
Polarizability
17.641829
Polar Surface Area
84.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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