Molecule

ID:112265

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄S
Molecular Mass
192.23278
Exact Mass
192.04562986
Charge
0
InChI
InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
InChIKey
XNDKLLFGXIEGKL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSCCC(=O)OC
Isomeric Smiles
COC(=O)CCSCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.29323512
LogD (pH = 7.4)
0.29323512
Log P
0.29323512
Molar Refractivity
45.4953
Polarizability
18.313496
Polar Surface Area
52.6
Rotatable Bonds
7
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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