Molecule

ID:84002

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrN₂S
Molecular Mass
243.12358
Exact Mass
241.95133123
Charge
0
InChI
InChI=1S/C8H7BrN2S/c1-4-5(2)8-7(3-6(4)9)10-12-11-8/h3H,1-2H3
InChIKey
GSQBGCGYACPACL-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2nsnc2c(c1C)C
Isomeric Smiles
s1nc2c(n1)cc(c(c2C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9124696
LogD (pH = 7.4)
3.9124703
Log P
3.9124703
Molar Refractivity
54.2456
Polarizability
21.106087
Polar Surface Area
25.78
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