Molecule
ID:80174
General Information
Molecular Formula
C₁₀H₁₂BrClN₄O₃
Molecular Mass
351.58428
Exact Mass
349.97812994
Charge
0
InChI
InChI=1S/C10H12BrClN4O3/c1-14-7-6(8(18)15(2)10(14)19)16(9(11)13-7)4-5(17)3-12/h5,17H,3-4H2,1-2H3
InChIKey
NMKWXPMQYYWLKK-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)O
Isomeric Smiles
n1c(Br)n(c2c1n(c(=O)n(c2=O)C)C)CC(O)CCl
Calculated Properties
JChem
Acid pKa
13.890659
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5525764
LogD (pH = 7.4)
0.5525763
Log P
0.5525764
Molar Refractivity
72.7618
Polarizability
27.263834
Polar Surface Area
78.67
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...