Molecule

ID:114125

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-3-20-14(19)13-11(17)8-12(18)16(15-13)10-7-5-4-6-9(10)2/h4-8,17H,3H2,1-2H3
InChIKey
PJPJBQPXTNKBOC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c(=O)cc1O)c1ccccc1C
Isomeric Smiles
n1(nc(c(cc1=O)O)C(=O)OCC)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
4.844507
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8053142
LogD (pH = 7.4)
0.03408765
Log P
2.5469635
Molar Refractivity
73.4329
Polarizability
27.361954
Polar Surface Area
79.2
Rotatable Bonds
4
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