Molecule

ID:50755

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS
Molecular Mass
129.18018
Exact Mass
129.02483485
Charge
0
InChI
InChI=1S/C5H7NOS/c1-4-5(2-7)8-3-6-4/h3,7H,2H2,1H3
InChIKey
ZSPCITYHOYJDBW-UHFFFAOYSA-N
Canonic Smiles
Cc1ncsc1CO
Isomeric Smiles
c1(c(ncs1)C)CO
Calculated Properties
JChem
Acid pKa
14.140491
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12831517
LogD (pH = 7.4)
0.12849604
Log P
0.12849842
Molar Refractivity
32.4579
Polarizability
12.36871
Polar Surface Area
33.12
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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