Molecule

ID:59879

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₄
Molecular Mass
220.18152
Exact Mass
220.04840675
Charge
0
InChI
InChI=1S/C10H8N2O4/c13-8(14)5-12-9(15)6-3-1-2-4-7(6)11-10(12)16/h1-4H,5H2,(H,11,16)(H,13,14)
InChIKey
RQQGYSJFFRKGNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1700304
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2067877
LogD (pH = 7.4)
-2.3519976
Log P
1.098607
Molar Refractivity
54.7574
Polarizability
19.82009
Polar Surface Area
86.71
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