Molecule

ID:123314

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂S
Molecular Mass
106.14354
Exact Mass
106.00885043
Charge
0
InChI
InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
InChIKey
MKIJJIMOAABWGF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CS
Isomeric Smiles
C(=O)(OC)CS
Calculated Properties
JChem
Acid pKa
9.32812
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.1490539
LogD (pH = 7.4)
0.14438766
Log P
0.14911376
Molar Refractivity
25.242
Polarizability
10.126761
Polar Surface Area
26.3
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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