Molecule

ID:110613

General Information
Structure
Molecular Formula
C₁₆H₃₂O
Molecular Mass
240.42468
Exact Mass
240.24531564
Charge
0
InChI
InChI=1S/C16H32O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h3-15H2,1-2H3
InChIKey
XMIMKDVDMTZIIW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)CCCCCC
Isomeric Smiles
CCCCCCCCCC(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.397607
LogD (pH = 7.4)
6.397607
Log P
6.397607
Molar Refractivity
76.0596
Polarizability
30.309954
Polar Surface Area
17.07
Rotatable Bonds
13
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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