Molecule
ID:61868
General Information
Molecular Formula
C₉H₁₀Br₂N₂O
Molecular Mass
321.9965
Exact Mass
319.91598695
Charge
0
InChI
InChI=1S/C9H10Br2N2O/c10-7-5-8(11)9(12-6-7)13-1-3-14-4-2-13/h5-6H,1-4H2
InChIKey
FFPQAQCDPWWXTJ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)Br)N1CCOCC1
Isomeric Smiles
c1(ncc(cc1Br)Br)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7757702
LogD (pH = 7.4)
2.7770631
Log P
2.7770796
Molar Refractivity
62.9633
Polarizability
23.835638
Polar Surface Area
25.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...