Molecule

ID:37674

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O₃S
Molecular Mass
173.14992
Exact Mass
172.98951197
Charge
0
InChI
InChI=1S/C4H3N3O3S/c8-2(3(9)10)6-4-7-5-1-11-4/h1H,(H,9,10)(H,6,7,8)
InChIKey
BKRSPAQARUBDQM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)Nc1nncs1
Isomeric Smiles
c1(NC(=O)C(=O)O)scnn1
Calculated Properties
JChem
Acid pKa
1.0678692
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.8528163
LogD (pH = 7.4)
-3.8993094
Log P
-0.51377195
Molar Refractivity
37.5204
Polarizability
13.062979
Polar Surface Area
92.18
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