Molecule

ID:82589

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂S₂
Molecular Mass
226.3152
Exact Mass
226.01222156
Charge
0
InChI
InChI=1S/C10H10O2S2/c1-5-4-13-10-7(5)6(2)8(14-10)9(11)12-3/h4H,1-3H3
InChIKey
UNMAABJDCUEPCI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1C)c(cs2)C
Isomeric Smiles
s1c(c(c2c1scc2C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.147775
LogD (pH = 7.4)
4.147775
Log P
4.147775
Molar Refractivity
57.3202
Polarizability
22.489708
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
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References
Bioactivity
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