Molecule

ID:15946

General Information
Structure
Molecular Formula
C₁₈H₃₀
Molecular Mass
246.4308
Exact Mass
246.23475096
Charge
0
InChI
InChI=1S/C18H30/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKey
GVSYDCGFYSVNAX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccccc1CCCCCC
Isomeric Smiles
c1ccc(c(c1)CCCCCC)CCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.445775
LogD (pH = 7.4)
7.445775
Log P
7.445775
Molar Refractivity
82.1504
Polarizability
32.39261
Polar Surface Area
0.0
Rotatable Bonds
10
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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