Molecule

ID:123319

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₂S
Molecular Mass
134.15694
Exact Mass
134.01499844
Charge
0
InChI
InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)
InChIKey
BWUNQEXPLIAUOU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSC(=N)N
Isomeric Smiles
C(=N)(SCC(=O)O)N
Calculated Properties
JChem
Acid pKa
3.7850306
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.0716903
LogD (pH = 7.4)
-2.0651677
Log P
-2.0651388
Molar Refractivity
41.2115
Polarizability
11.846718
Polar Surface Area
87.17
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