Molecule

ID:59500

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₂S
Molecular Mass
145.17958
Exact Mass
145.01974947
Charge
0
InChI
InChI=1S/C5H7NO2S/c1-8-5-6-2-4(3-7)9-5/h2,7H,3H2,1H3
InChIKey
MDLDKUOTEDTEFY-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(s1)CO
Isomeric Smiles
c1(ncc(s1)CO)OC
Calculated Properties
JChem
Acid pKa
13.712113
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5237058
LogD (pH = 7.4)
0.52370673
Log P
0.523707
Molar Refractivity
33.8029
Polarizability
13.199816
Polar Surface Area
42.35
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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