Molecule

ID:112435

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀
Molecular Mass
246.4308
Exact Mass
246.23475096
Charge
0
InChI
InChI=1S/C18H30/c1-7-13-17(3,4)15-9-11-16(12-10-15)18(5,6)14-8-2/h9-12H,7-8,13-14H2,1-6H3
InChIKey
CFFDJNIXMOHDJE-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1ccc(cc1)C(CCC)(C)C)(C)C
Isomeric Smiles
CCCC(C)(C)c1ccc(cc1)C(C)(C)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.841633
LogD (pH = 7.4)
6.841633
Log P
6.841633
Molar Refractivity
81.7938
Polarizability
32.388813
Polar Surface Area
0.0
Rotatable Bonds
6
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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