Molecule

ID:36686

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄S₂
Molecular Mass
226.3218
Exact Mass
226.03468834
Charge
0
InChI
InChI=1S/C8H10N4S2/c1-4-2-3-14-5(4)6-10-7(9)12-8(13)11-6/h2-3,6H,1H3,(H4,9,10,11,12,13)
InChIKey
SRNIXGJTHXPWDA-UHFFFAOYSA-N
Canonic Smiles
SC1=NC(=NC(N1)c1sccc1C)N
Isomeric Smiles
N1=C(N=C(NC1c1c(ccs1)C)S)N
Calculated Properties
JChem
Acid pKa
2.4509697
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.813125
LogD (pH = 7.4)
2.8135073
Log P
2.8135102
Molar Refractivity
59.3188
Polarizability
22.381554
Polar Surface Area
62.77
Rotatable Bonds
1
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