Molecule

ID:59980

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂
Molecular Mass
251.27992
Exact Mass
251.09462866
Charge
0
InChI
InChI=1S/C16H13NO2/c18-16(19)15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19)
InChIKey
DMMXSSBHARRUHS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
n1(c(cc2c1cccc2)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.381638
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.492619
LogD (pH = 7.4)
0.19025704
Log P
3.5977411
Molar Refractivity
73.7875
Polarizability
29.251123
Polar Surface Area
42.23
Rotatable Bonds
3
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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