Molecule

ID:124263

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(16)7-6-12-9-8(14)4-3-5-13(9)10(7)15/h3-6,14H,2H2,1H3
InChIKey
YSOFEUXECYEGGL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1=O)cccc2O
Isomeric Smiles
n12c(=O)c(cnc1c(ccc2)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.435355
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.61446995
LogD (pH = 7.4)
0.61053646
Log P
0.6145204
Molar Refractivity
60.4885
Polarizability
22.22194
Polar Surface Area
79.2
Rotatable Bonds
3
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