Molecule

ID:15938

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄S₆
Molecular Mass
504.83736
Exact Mass
504.02022677
Charge
0
InChI
InChI=1S/C24H24S6/c1-3-19-20(4-2)28-23(27-19)24-29-21(25-15-17-11-7-5-8-12-17)22(30-24)26-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
ZLKHAPYKCWDVSJ-UHFFFAOYSA-N
Canonic Smiles
CCC1=C(CC)S/C(=C\2/SC(=C(S2)SCc2ccccc2)SCc2ccccc2)/S1
Isomeric Smiles
C\1(=C/2\SC(=C(S2)CC)CC)/SC(=C(S1)SCc1ccccc1)SCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.43231
LogD (pH = 7.4)
9.43231
Log P
9.43231
Molar Refractivity
189.1306
Polarizability
58.437706
Polar Surface Area
0.0
Rotatable Bonds
8
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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