Molecule

ID:54137

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₄
Molecular Mass
248.23468
Exact Mass
248.07970687
Charge
0
InChI
InChI=1S/C12H12N2O4/c1-3-17-12(15)11-13-10(14-18-11)8-4-6-9(16-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey
ZMCFMWWPODIDQI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccc(cc1)OC
Isomeric Smiles
O(c1ccc(c2nc(on2)C(=O)OCC)cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3525338
LogD (pH = 7.4)
2.3525338
Log P
2.3525338
Molar Refractivity
74.7995
Polarizability
24.561434
Polar Surface Area
74.45
Rotatable Bonds
5
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