Molecule

ID:33224

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FN₃O₂
Molecular Mass
273.2623832
Exact Mass
273.09135486
Charge
0
InChI
InChI=1S/C14H12FN3O2/c15-11-5-1-9(2-6-11)13(19)17-12-7-3-10(4-8-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKey
OAPYNKXLVTWAOZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)NN)cc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.430084
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.7611008
LogD (pH = 7.4)
1.7619474
Log P
1.7619971
Molar Refractivity
75.3704
Polarizability
26.892162
Polar Surface Area
84.22
Rotatable Bonds
3
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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