Molecule

ID:87923

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂S
Molecular Mass
146.2074
Exact Mass
146.04015056
Charge
0
InChI
InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)
InChIKey
VFAXPOVKNPTBTM-UHFFFAOYSA-N
Canonic Smiles
SCC1(CC1)CC(=O)O
Isomeric Smiles
O=C(CC1(CC1)CS)O
Calculated Properties
JChem
Acid pKa
4.6266575
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.08874412
LogD (pH = 7.4)
-1.6889322
Log P
1.0156974
Molar Refractivity
36.8964
Polarizability
14.652166
Polar Surface Area
37.3
Rotatable Bonds
3
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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