Molecule

ID:8369

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS
Molecular Mass
129.18018
Exact Mass
129.02483485
Charge
0
InChI
InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3
InChIKey
NDUWJHRKDYXRAD-UHFFFAOYSA-N
Canonic Smiles
CCOc1nccs1
Isomeric Smiles
c1nc(sc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5154216
LogD (pH = 7.4)
1.5154252
Log P
1.5154253
Molar Refractivity
31.9515
Polarizability
12.516329
Polar Surface Area
22.12
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
No Data Available
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Molecule Details
References
Bioactivity
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