Molecule

ID:35759

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂FN₃O₂
Molecular Mass
309.2944832
Exact Mass
309.09135486
Charge
0
InChI
InChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-10-16(21-20-15)19-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,19,21)(H,22,23)
InChIKey
AOLKZQABRLRQNP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(nn1)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
n1nc(Nc2ccc(C(=O)O)cc2)ccc1c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
4.6182656
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.7032907
LogD (pH = 7.4)
0.92756057
Log P
3.6435473
Molar Refractivity
84.8009
Polarizability
32.195984
Polar Surface Area
75.11
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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