Molecule

ID:131767

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₃
Molecular Mass
258.3969
Exact Mass
258.21949482
Charge
0
InChI
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14,16H,3-13H2,1-2H3
InChIKey
ATFSJSYRBAGGIS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(C(=O)OC)O
Isomeric Smiles
CCCCCCCCCCCCC(C(=O)OC)O
Calculated Properties
JChem
Acid pKa
12.708267
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6422734
LogD (pH = 7.4)
4.6422715
Log P
4.6422734
Molar Refractivity
74.1429
Polarizability
29.738844
Polar Surface Area
46.53
Rotatable Bonds
13
Lipinski's Rule of Five
true
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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