Molecule

ID:33534

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₄OS₂
Molecular Mass
214.26804
Exact Mass
213.99830283
Charge
0
InChI
InChI=1S/C6H6N4OS2/c1-4-8-9-6(13-4)12-2-5-7-3-11-10-5/h3H,2H2,1H3
InChIKey
NHLOJPHPIZXVQO-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(s1)SCc1nocn1
Isomeric Smiles
s1c(nnc1C)SCc1ncon1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.69821143
LogD (pH = 7.4)
0.6982137
Log P
0.6982137
Molar Refractivity
52.9491
Polarizability
18.806393
Polar Surface Area
64.7
Rotatable Bonds
3
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