Molecule

ID:60508

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₄
Molecular Mass
271.26802
Exact Mass
271.0844579
Charge
0
InChI
InChI=1S/C15H13NO4/c1-20-11-6-4-5-10(9-11)14(17)16-13-8-3-2-7-12(13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
SQXARJDEAYVCIL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)Nc1ccccc1C(=O)O
Isomeric Smiles
c1(c(NC(=O)c2cc(OC)ccc2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5513802
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2728153
LogD (pH = 7.4)
-0.14436206
Log P
3.2150424
Molar Refractivity
75.3109
Polarizability
27.79643
Polar Surface Area
75.63
Rotatable Bonds
4
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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