Molecule

ID:113281

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c16-13-8-6-12(7-9-13)15(18)19-10-14(17)11-4-2-1-3-5-11/h1-9H,10,16H2
InChIKey
DCACVDCJUZSHPS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)OCC(=O)c1ccccc1
Isomeric Smiles
C(=O)(OCC(=O)c1ccccc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
13.716655
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3794808
LogD (pH = 7.4)
2.3800123
Log P
2.3800192
Molar Refractivity
72.6854
Polarizability
27.372778
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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