Molecule

ID:80529

General Information
Structure
MolImage
Molecular Formula
C₆H₇NOS
Molecular Mass
141.19088
Exact Mass
141.02483485
Charge
0
InChI
InChI=1S/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChIKey
XAHWXDLKIYXDCK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1C)C
Isomeric Smiles
n1c(sc(c1C)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7312774
LogD (pH = 7.4)
0.73141354
Log P
0.7314153
Molar Refractivity
36.6667
Polarizability
13.578236
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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