Molecule

ID:57254

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄S
Molecular Mass
156.20882
Exact Mass
156.04696728
Charge
0
InChI
InChI=1S/C5H8N4S/c6-9-4(3-1-2-3)7-8-5(9)10/h3H,1-2,6H2,(H,8,10)
InChIKey
VHSPUADGNVTVDC-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(n1N)C1CC1
Isomeric Smiles
n1nc(n(c1C1CC1)N)S
Calculated Properties
JChem
Acid pKa
7.5461526
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3947992
LogD (pH = 7.4)
-0.6135584
Log P
-0.39095673
Molar Refractivity
44.4468
Polarizability
15.223251
Polar Surface Area
56.73
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