Molecule

ID:76788

General Information
Structure
MolImage
Molecular Formula
C₃N₄O₃S
Molecular Mass
172.1221
Exact Mass
171.96911088
Charge
0
InChI
InChI=1S/C3N4O3S/c4-1-11-3-2(7(8)9)5-10-6-3
InChIKey
ZEKOIYRKEFGUOH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1nonc1SC#N
Isomeric Smiles
n1c(c(no1)SC#N)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.9883901
LogD (pH = 7.4)
0.9883901
Log P
0.9883901
Molar Refractivity
38.2457
Polarizability
12.554215
Polar Surface Area
108.53
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