Molecule

ID:44723

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Br₂N₃O₂
Molecular Mass
360.98948
Exact Mass
358.89050048
Charge
0
InChI
InChI=1S/C10H7Br2N3O2/c11-9-8(15(16)17)10(12)14(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
RNMYBBCIGXBZGA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Br)nn(c1Br)Cc1ccccc1
Isomeric Smiles
n1(nc(c(c1Br)[N+](=O)[O-])Br)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.508946
LogD (pH = 7.4)
3.508946
Log P
3.508946
Molar Refractivity
82.7685
Polarizability
26.498537
Polar Surface Area
63.64
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