Molecule

ID:85733

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂S
Molecular Mass
120.17012
Exact Mass
120.0245005
Charge
0
InChI
InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChIKey
LDTLDBDUBGAEDT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCS
Isomeric Smiles
SCCC(=O)OC
Calculated Properties
JChem
Acid pKa
10.111911
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5936726
LogD (pH = 7.4)
0.5929008
Log P
0.5936824
Molar Refractivity
29.843
Polarizability
11.949406
Polar Surface Area
26.3
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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