Molecule

ID:81886

General Information
Structure
MolImage
Molecular Formula
C₄₄H₉₂N₂S₂
Molecular Mass
713.34468
Exact Mass
712.67019295
Charge
0
InChI
InChI=1S/C44H92N2S2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-41-43(3,4)47-48-44(5,6)42-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h45-46H,7-42H2,1-6H3
InChIKey
XPRDKOZGEVEHDT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCNCC(SSC(CNCCCCCCCCCCCCCCCCCC)(C)C)(C)C
Isomeric Smiles
S(C(CNCCCCCCCCCCCCCCCCCC)(C)C)SC(CNCCCCCCCCCCCCCCCCCC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
10.502202
LogD (pH = 7.4)
11.620727
Log P
16.956528
Molar Refractivity
227.1184
Polarizability
91.17647
Polar Surface Area
24.06
Rotatable Bonds
41
Lipinski's Rule of Five
false
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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