Molecule

ID:56140

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c1-11(15(18)12-5-3-2-4-6-12)20-16(19)13-7-9-14(17)10-8-13/h2-11H,17H2,1H3
InChIKey
ZCEZRWHJATUUOH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)C
Isomeric Smiles
c1(ccc(cc1)C(=O)OC(C(=O)c1ccccc1)C)N
Calculated Properties
JChem
Acid pKa
13.930742
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9482071
LogD (pH = 7.4)
2.948776
Log P
2.9487834
Molar Refractivity
77.1793
Polarizability
29.21346
Polar Surface Area
69.39
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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