Molecule

ID:120814

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉FN₂O₂
Molecular Mass
268.2425632
Exact Mass
268.06480576
Charge
0
InChI
InChI=1S/C15H9FN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20)
InChIKey
NLSLIMNBBWCZJB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1cnccc1)ccc(c2)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4816678
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.91384226
LogD (pH = 7.4)
-0.56372523
Log P
1.885179
Molar Refractivity
70.0592
Polarizability
28.974745
Polar Surface Area
63.08
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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