Molecule

ID:112137

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₂O
Molecular Mass
228.41398
Exact Mass
228.24531564
Charge
0
InChI
InChI=1S/C15H32O/c1-4-6-8-9-10-11-12-14-15(3,16)13-7-5-2/h16H,4-14H2,1-3H3
InChIKey
HETIWSHUZYJIPG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(CCCC)(O)C
Isomeric Smiles
CCCCCCCCCC(C)(O)CCCC
Calculated Properties
JChem
Acid pKa
19.302492
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5815454
LogD (pH = 7.4)
5.5815454
Log P
5.5815454
Molar Refractivity
72.5239
Polarizability
29.014809
Polar Surface Area
20.23
Rotatable Bonds
11
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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