Molecule

ID:25289

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₂
Molecular Mass
263.29062
Exact Mass
263.09462866
Charge
0
InChI
InChI=1S/C17H13NO2/c1-11-6-2-3-7-12(11)16-10-14(17(19)20)13-8-4-5-9-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKey
YLQGICXPTGQXFS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cccc2)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.5673928
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.402247
LogD (pH = 7.4)
0.9788254
Log P
4.3349805
Molar Refractivity
77.0409
Polarizability
32.08587
Polar Surface Area
50.19
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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