Molecule

ID:82386

General Information
Structure
MolImage
Molecular Formula
C₇H₅N₃O₃S
Molecular Mass
211.1979
Exact Mass
211.00516204
Charge
0
InChI
InChI=1S/C7H5N3O3S/c8-5-7(10-11)14(12,13)6-3-1-2-4-9-6/h1-4,11H
InChIKey
YGMWCSZEJYENBM-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/S(=O)(=O)c1ccccn1)\C#N
Isomeric Smiles
S(=O)(=O)(c1ccccn1)/C(=N/O)/C#N
Calculated Properties
JChem
Acid pKa
2.7063875
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.6308626
LogD (pH = 7.4)
-1.7687918
Log P
0.60552883
Molar Refractivity
47.2343
Polarizability
18.67822
Polar Surface Area
103.41
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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