Molecule

ID:102473

General Information
Structure
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Molecular Formula
C₁₅H₃₀O₄
Molecular Mass
274.3963
Exact Mass
274.21440944
Charge
0
InChI
InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
InChIKey
ARIWANIATODDMH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OCC(CO)O
Isomeric Smiles
CCCCCCCCCCCC(=O)OCC(O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
3.30
LogD (pH = 5.5)
3.30
Log P
3.30
Rotatable Bonds
14
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
13.62
Polar Surface Area
66.76
Polarizability
33.82
Molar Refractivity
75.70
LOG S
-4.57
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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