Molecule

ID:54704

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Br₂N₂S
Molecular Mass
350.0728
Exact Mass
347.89314333
Charge
0
InChI
InChI=1S/C10H9BrN2S.BrH/c1-12-10-13-9(6-14-10)7-2-4-8(11)5-3-7;/h2-6H,1H3,(H,12,13);1H
InChIKey
LXVKJHYMWFWMME-UHFFFAOYSA-N
Canonic Smiles
CNc1scc(n1)c1ccc(cc1)Br.Br
Isomeric Smiles
n1c(scc1c1ccc(cc1)Br)NC.Br
Calculated Properties
JChem
Acid pKa
16.71709
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5896351
LogD (pH = 7.4)
3.5908792
Log P
3.590895
Molar Refractivity
63.3205
Polarizability
24.74504
Polar Surface Area
24.92
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