Molecule

ID:30556

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-12-8-5-3-2-4-7(8)10(16)13(11(12)17)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
BFVCBFCDCZVPGO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(=O)c2ccccc2n(c1=O)C
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.2784011
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8906592
LogD (pH = 7.4)
-3.1179135
Log P
0.31267303
Molar Refractivity
57.8733
Polarizability
21.636312
Polar Surface Area
77.92
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