Molecule

ID:68282

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂N₂O₂
Molecular Mass
295.91616
Exact Mass
293.86395138
Charge
0
InChI
InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKey
UGSDJCJVOHRWIA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncc(nc1Br)Br
Isomeric Smiles
c1(c(nc(cn1)Br)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6757776
LogD (pH = 7.4)
1.6757776
Log P
1.6757776
Molar Refractivity
50.3275
Polarizability
19.347082
Polar Surface Area
52.08
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