Molecule

ID:30142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₄S₂
Molecular Mass
248.32732
Exact Mass
248.01903828
Charge
0
InChI
InChI=1S/C10H8N4S2/c11-10-14-13-9(16-10)5-8-12-6-3-1-2-4-7(6)15-8/h1-4H,5H2,(H2,11,14)
InChIKey
OBZFZVAGLQKDRD-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)Cc1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)Cc1sc(nn1)N
Calculated Properties
JChem
Acid pKa
14.634134
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0785515
LogD (pH = 7.4)
2.0787883
Log P
2.0787914
Molar Refractivity
65.2734
Polarizability
25.03482
Polar Surface Area
64.69
Rotatable Bonds
2
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