Molecule

ID:53260

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrN₂S₂
Molecular Mass
239.15648
Exact Mass
237.92340223
Charge
0
InChI
InChI=1S/C5H7BrN2S2/c1-3(2)9-5-7-4(6)8-10-5/h3H,1-2H3
InChIKey
OGWQEFUXUMZTJI-UHFFFAOYSA-N
Canonic Smiles
CC(Sc1snc(n1)Br)C
Isomeric Smiles
c1(nc(ns1)Br)SC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2699418
LogD (pH = 7.4)
3.2699418
Log P
3.2699418
Molar Refractivity
50.6752
Polarizability
18.964834
Polar Surface Area
25.78
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