Molecule

ID:57932

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₄
Molecular Mass
271.26802
Exact Mass
271.0844579
Charge
0
InChI
InChI=1S/C15H13NO4/c1-20-13-8-4-10(5-9-13)14(17)16-12-6-2-11(3-7-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
BZKIIAKIAMJABI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)O)cc1)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.1537595
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2025006
LogD (pH = 7.4)
-0.49934056
Log P
2.5650423
Molar Refractivity
75.3109
Polarizability
27.79397
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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