Molecule

ID:123206

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉FN₂O₂
Molecular Mass
268.2425632
Exact Mass
268.06480576
Charge
0
InChI
InChI=1S/C15H9FN2O2/c16-9-4-5-10-11(15(19)20)8-14(18-13(10)7-9)12-3-1-2-6-17-12/h1-8H,(H,19,20)
InChIKey
FPWBFUHWIXQEAV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc(cc2C(=O)O)c1ccccn1
Isomeric Smiles
n1c2c(c(cc1c1ncccc1)C(=O)O)ccc(c2)F
Calculated Properties
JChem
Acid pKa
3.6521015
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1952653
LogD (pH = 7.4)
-0.22487111
Log P
2.7661884
Molar Refractivity
69.6872
Polarizability
28.979698
Polar Surface Area
63.08
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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