Molecule

ID:134813

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₆O₆S₂
Molecular Mass
594.69664
Exact Mass
594.11708055
Charge
0
InChI
InChI=1S/C34H26O6S2/c1-23-11-17-27(18-12-23)41(35,36)39-31-21-15-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)16-22-32(34)40-42(37,38)28-19-13-24(2)14-20-28/h3-22H,1-2H3
InChIKey
BKYJBVWKVKRIDN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)c1ccc(cc1)C)cccc2
Isomeric Smiles
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2ccccc2c1c1c2ccccc2ccc1OS(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
9.059919
LogD (pH = 7.4)
9.059919
Log P
9.059919
Molar Refractivity
163.9418
Polarizability
68.67456
Polar Surface Area
86.74
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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