Molecule

ID:57740

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃O₂S
Molecular Mass
211.24096
Exact Mass
211.04154754
Charge
0
InChI
InChI=1S/C8H9N3O2S/c1-11(9)8-6-4-2-3-5-7(6)14(12,13)10-8/h2-5H,9H2,1H3
InChIKey
RQGWZBBWDZAJAK-UHFFFAOYSA-N
Canonic Smiles
CN(C1=NS(=O)(=O)c2c1cccc2)N
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)N(N)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.0677334
LogD (pH = 7.4)
-0.06348239
Log P
-0.063427925
Molar Refractivity
53.6322
Polarizability
20.731785
Polar Surface Area
75.76
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