Molecule
ID:80184
General Information
Molecular Formula
C₁₁H₁₄Br₂N₄O₂
Molecular Mass
394.06246
Exact Mass
391.94834971
Charge
0
InChI
InChI=1S/C11H14Br2N4O2/c1-4-6(12)5-17-7-8(14-10(17)13)15(2)11(19)16(3)9(7)18/h6H,4-5H2,1-3H3
InChIKey
GOXWJGGJEIMMAB-UHFFFAOYSA-N
Canonic Smiles
CCC(Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)Br
Isomeric Smiles
n1c(Br)n(c2c1n(c(=O)n(c2=O)C)C)CC(Br)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.307504
LogD (pH = 7.4)
2.307504
Log P
2.307504
Molar Refractivity
78.7256
Polarizability
29.391987
Polar Surface Area
58.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...