Molecule

ID:115604

General Information
Structure
Molecular Formula
C₂₀H₁₄FN₃O₃
Molecular Mass
363.3418632
Exact Mass
363.10191954
Charge
0
InChI
InChI=1S/C20H14FN3O3/c21-14-8-6-13(7-9-14)10-23-11-16-18(17(12-23)20(26)27)22-24(19(16)25)15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H,26,27)
InChIKey
ZIHANLUQXWXRON-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1cc(C(=O)O)c2c(c1)c(=O)n(n2)c1ccccc1
Isomeric Smiles
c12c(c(cn(c2)Cc2ccc(F)cc2)C(=O)O)nn(c1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.9683475
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.6866602
LogD (pH = 7.4)
0.04965466
Log P
3.226653
Molar Refractivity
96.8423
Polarizability
35.97673
Polar Surface Area
73.21
Rotatable Bonds
4
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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