Molecule

ID:86275

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄S
Molecular Mass
144.19812
Exact Mass
144.04696728
Charge
0
InChI
InChI=1S/C4H8N4S/c1-8-3(5)6-4(7-8)9-2/h1-2H3,(H2,5,6,7)
InChIKey
IPNJAXGQPBLGQA-UHFFFAOYSA-N
Canonic Smiles
CSc1nn(c(n1)N)C
Isomeric Smiles
n1c(n(C)nc1SC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.875749
LogD (pH = 7.4)
0.87689877
Log P
0.8769134
Molar Refractivity
51.0141
Polarizability
14.107986
Polar Surface Area
56.73
Rotatable Bonds
1
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