Molecule

ID:119346

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrN₄O₂
Molecular Mass
273.08666
Exact Mass
271.99088755
Charge
0
InChI
InChI=1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChIKey
YRLRORFORQUTKS-UHFFFAOYSA-N
Canonic Smiles
Brc1nc2c(n1C)c(=O)n(c(=O)n2C)C
Isomeric Smiles
c12c(c(=O)n(c(=O)n2C)C)n(c(n1)Br)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.51842153
LogD (pH = 7.4)
0.51842153
Log P
0.51842153
Molar Refractivity
57.456
Polarizability
21.005934
Polar Surface Area
58.44
Rotatable Bonds
0
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