Molecule

ID:59929

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂O₄
Molecular Mass
206.15494
Exact Mass
206.03275668
Charge
0
InChI
InChI=1S/C9H6N2O4/c12-7(13)4-11-8(14)5-1-2-10-3-6(5)9(11)15/h1-3H,4H2,(H,12,13)
InChIKey
DPYUWQXDKQQQRE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)c2c(C1=O)cncc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccnc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.782748
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.6339214
LogD (pH = 7.4)
-4.329507
Log P
-1.1890122
Molar Refractivity
48.1392
Polarizability
17.651827
Polar Surface Area
87.57
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