Molecule

ID:65810

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂O₄
Molecular Mass
261.0296
Exact Mass
259.94326865
Charge
0
InChI
InChI=1S/C7H5BrN2O4/c1-4-5(8)2-3-6(9(11)12)7(4)10(13)14/h2-3H,1H3
InChIKey
OXYXHHOXCIPFBY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(ccc(c1C)Br)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(c(c1C)[N+](=O)[O-])[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1353881
LogD (pH = 7.4)
3.1353881
Log P
3.1353881
Molar Refractivity
53.3714
Polarizability
19.059635
Polar Surface Area
91.64
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