Molecule

ID:28636

General Information
Structure
Molecular Formula
C₁₆H₁₃NO₄
Molecular Mass
283.27872
Exact Mass
283.0844579
Charge
0
InChI
InChI=1S/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)
InChIKey
NIGPPPVPMJYXFY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1
Isomeric Smiles
N1(C(=O)C2C(C1=O)C1C=CC2C1)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
4.031585
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.11823441
LogD (pH = 7.4)
-1.7797248
Log P
1.3609518
Molar Refractivity
74.5713
Polarizability
28.110918
Polar Surface Area
74.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation