Molecule

ID:102084

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₂S
Molecular Mass
159.20616
Exact Mass
159.03539953
Charge
0
InChI
InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKey
NRFJZTXWLKPZAV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC1CCSC1=O
Isomeric Smiles
CC(=O)NC1CCSC1=O
Calculated Properties
JChem
Acid pKa
12.527767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.43149233
LogD (pH = 7.4)
-0.43149513
Log P
-0.43149227
Molar Refractivity
39.2029
Polarizability
15.490435
Polar Surface Area
46.17
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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