Molecule

ID:24633

General Information
Structure
MolImage
Molecular Formula
C₄H₃NOS
Molecular Mass
113.13772
Exact Mass
112.99353472
Charge
0
InChI
InChI=1S/C4H3NOS/c6-1-4-2-7-3-5-4/h1-3H
InChIKey
WRFKSVINLIQRKF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cscn1
Isomeric Smiles
n1c(csc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.019076
LogD (pH = 7.4)
1.019084
Log P
1.0190841
Molar Refractivity
27.4652
Polarizability
10.088693
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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