Molecule

ID:25379

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₂
Molecular Mass
263.29062
Exact Mass
263.09462866
Charge
0
InChI
InChI=1S/C17H13NO2/c1-11-6-5-9-13-14(17(19)20)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKey
KNNHBYHNBLIQDB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2C)c1ccccc1
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5874627
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4182658
LogD (pH = 7.4)
0.9843787
Log P
4.3349805
Molar Refractivity
77.0409
Polarizability
32.08562
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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