Molecule

ID:82579

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂S₂
Molecular Mass
242.35766
Exact Mass
242.04352169
Charge
0
InChI
InChI=1S/C11H14O2S2/c1-5-8-7(3)9(10(12)13-6-2)15-11(8)14-4/h5H,1,6H2,2-4H3
InChIKey
FFNYJXHQCYRVHF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(c(c1C)C=C)SC
Isomeric Smiles
s1c(c(c(c1SC)C=C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2907486
LogD (pH = 7.4)
4.2907486
Log P
4.2907486
Molar Refractivity
66.3681
Polarizability
25.442621
Polar Surface Area
26.3
Rotatable Bonds
5
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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