Molecule

ID:135802

General Information
Structure
MolImage
Molecular Formula
C₃₂H₅₀
Molecular Mass
434.7394
Exact Mass
434.3912516
Charge
0
InChI
InChI=1S/C32H50/c1-9-13-29-23-32(22-20-28(8)18-12-16-26(5)6)30(14-10-2)24-31(29)21-19-27(7)17-11-15-25(3)4/h23-28H,11-12,15-22H2,1-8H3
InChIKey
KOJNSQDUDBOUPL-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C)C)CCc1cc(C#CC)c(cc1C#CC)CCC(CCCC(C)C)C
Isomeric Smiles
CC#Cc1cc(c(cc1CCC(C)CCCC(C)C)C#CC)CCC(C)CCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.346657
LogD (pH = 7.4)
12.346657
Log P
12.346657
Molar Refractivity
140.095
Polarizability
56.005795
Polar Surface Area
0.0
Rotatable Bonds
16
Lipinski's Rule of Five
false
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
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References
Bioactivity
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