Molecule

ID:59481

General Information
Structure
MolImage
Molecular Formula
C₆H₇NOS
Molecular Mass
141.19088
Exact Mass
141.02483485
Charge
0
InChI
InChI=1S/C6H7NOS/c1-4(8)6-3-9-5(2)7-6/h3H,1-2H3
InChIKey
UJIGIKQKDDJTJL-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)C(=O)C
Isomeric Smiles
n1c(csc1C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.54369
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.69855344
LogD (pH = 7.4)
0.69860053
Log P
0.6986012
Molar Refractivity
35.7379
Polarizability
13.654815
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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