Molecule

ID:79584

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₈
Molecular Mass
280.44702
Exact Mass
280.2191009
Charge
0
InChI
InChI=1S/C21H28/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3
InChIKey
XMYSGVNXYKACMA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
CCCCCCCCCc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.690442
LogD (pH = 7.4)
7.690442
Log P
7.690442
Molar Refractivity
93.0434
Polarizability
38.038723
Polar Surface Area
0.0
Rotatable Bonds
9
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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