Molecule

ID:53870

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNS
Molecular Mass
178.05026
Exact Mass
176.92478213
Charge
0
InChI
InChI=1S/C4H4BrNS/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKey
XSVSPKKXQGNHMD-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(c1)Br
Isomeric Smiles
c1c(C)nsc1Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0087092
LogD (pH = 7.4)
2.0089746
Log P
2.0089781
Molar Refractivity
33.3732
Polarizability
12.940958
Polar Surface Area
12.89
Rotatable Bonds
0
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