Molecule

ID:25312

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₂
Molecular Mass
263.29062
Exact Mass
263.09462866
Charge
0
InChI
InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKey
ZSVACLAZDFXWQG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4137866
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.224002
LogD (pH = 7.4)
0.9260739
Log P
4.1425905
Molar Refractivity
77.0409
Polarizability
32.084846
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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