Molecule

ID:15980

General Information
Structure
MolImage
Molecular Formula
C₃₆H₅₈Br₂O₂S₂
Molecular Mass
746.78252
Exact Mass
744.2244971
Charge
0
InChI
InChI=1S/C36H58Br2O2S2/c1-39-33-27-31-28-34(40-2)36(42-26-22-18-14-10-6-4-8-12-16-20-24-38)30-32(31)29-35(33)41-25-21-17-13-9-5-3-7-11-15-19-23-37/h27-30H,3-26H2,1-2H3
InChIKey
DRHSTALLYCIUIL-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCCCSc1cc2cc(SCCCCCCCCCCCCBr)c(cc2cc1OC)OC
Isomeric Smiles
c1c(c(cc2cc(c(cc12)OC)SCCCCCCCCCCCCBr)SCCCCCCCCCCCCBr)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
13.663972
LogD (pH = 7.4)
13.663972
Log P
13.663972
Molar Refractivity
198.3404
Polarizability
78.271454
Polar Surface Area
18.46
Rotatable Bonds
28
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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