Molecule

ID:79586

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀
Molecular Mass
224.3407
Exact Mass
224.15650064
Charge
0
InChI
InChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKey
IFUOTAQBVGAZPR-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
CCCCCc1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.912167
LogD (pH = 7.4)
5.912167
Log P
5.912167
Molar Refractivity
74.6394
Polarizability
30.661547
Polar Surface Area
0.0
Rotatable Bonds
5
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
References
Bioactivity
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