Molecule

ID:65034

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrN₂S
Molecular Mass
215.07042
Exact Mass
213.92003111
Charge
0
InChI
InChI=1S/C6H3BrN2S/c7-4-2-10-5-1-8-3-9-6(4)5/h1-3H
InChIKey
PDQOYFDDMSKPQP-UHFFFAOYSA-N
Canonic Smiles
Brc1csc2c1ncnc2
Isomeric Smiles
c1ncc2scc(c2n1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0803626
LogD (pH = 7.4)
2.0803633
Log P
2.0803633
Molar Refractivity
43.3132
Polarizability
17.5737
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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