Molecule

ID:63747

General Information
Structure
MolImage
Molecular Formula
C₄H₃NOS
Molecular Mass
113.13772
Exact Mass
112.99353472
Charge
0
InChI
InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
InChIKey
ZGTFNNUASMWGTM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nccs1
Isomeric Smiles
n1c(scc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0107718
LogD (pH = 7.4)
1.0107785
Log P
1.0107787
Molar Refractivity
27.3144
Polarizability
10.094088
Polar Surface Area
29.96
Rotatable Bonds
1
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
References
Bioactivity
Navigation