Molecule

ID:75332

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂S₂
Molecular Mass
278.38976
Exact Mass
278.04352169
Charge
0
InChI
InChI=1S/C14H14O2S2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKey
PZQGLCGLPMWYBT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)SSc1ccc(cc1)OC
Isomeric Smiles
S(c1ccc(cc1)OC)Sc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2584023
LogD (pH = 7.4)
4.2584023
Log P
4.2584023
Molar Refractivity
75.3866
Polarizability
31.063347
Polar Surface Area
18.46
Rotatable Bonds
5
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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