Molecule

ID:43730

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Br₂N₂S
Molecular Mass
362.0835
Exact Mass
359.89314333
Charge
0
InChI
InChI=1S/C11H9BrN2S.BrH/c12-10-9(8-4-2-1-3-5-8)14-7-6-13-11(14)15-10;/h1-5H,6-7H2;1H
InChIKey
FMQQZJWVVOHZRQ-UHFFFAOYSA-N
Canonic Smiles
Brc1sc2=NCCn2c1c1ccccc1.Br
Isomeric Smiles
c12=NCCn2c(c(s1)Br)c1ccccc1.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3214884
LogD (pH = 7.4)
3.38592
Log P
3.3868072
Molar Refractivity
77.7211
Polarizability
25.539904
Polar Surface Area
15.6
Rotatable Bonds
1
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