Molecule

ID:60505

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₄
Molecular Mass
285.2946
Exact Mass
285.10010797
Charge
0
InChI
InChI=1S/C16H15NO4/c1-2-21-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKey
ZAPHGOGYMZFQGA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Nc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(OCC)cccc1)Nc1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.5509892
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6292466
LogD (pH = 7.4)
0.21231052
Log P
3.5718503
Molar Refractivity
80.0595
Polarizability
29.634394
Polar Surface Area
75.63
Rotatable Bonds
5
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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