Molecule

ID:115917

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄O₃S
Molecular Mass
240.23912
Exact Mass
240.03171114
Charge
0
InChI
InChI=1S/C8H8N4O3S/c13-5-1-3-12(7(14)9-5)4-2-6-10-11-8(16)15-6/h1,3H,2,4H2,(H,11,16)(H,9,13,14)
InChIKey
SMLVDZXBXJAGHJ-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(o1)CCn1ccc(=O)[nH]c1=O
Isomeric Smiles
[nH]1c(=O)n(ccc1=O)CCc1oc(nn1)S
Calculated Properties
JChem
Acid pKa
6.7140727
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.86282444
LogD (pH = 7.4)
-1.5344157
Log P
-0.83806574
Molar Refractivity
57.9137
Polarizability
21.219364
Polar Surface Area
88.33
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