Molecule

ID:85520

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄S₂
Molecular Mass
224.29778
Exact Mass
224.01770086
Charge
0
InChI
InChI=1S/C7H12O4S2/c1-10-6(8)3-12-5-13-4-7(9)11-2/h3-5H2,1-2H3
InChIKey
BFHDRPZMLANSSN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSCSCC(=O)OC
Isomeric Smiles
O=C(OC)CSCSCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44230017
LogD (pH = 7.4)
0.44230017
Log P
0.44230017
Molar Refractivity
53.0101
Polarizability
21.386436
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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