Molecule

ID:77473

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₃
Molecular Mass
258.3969
Exact Mass
258.21949482
Charge
0
InChI
InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
InChIKey
BZUNJUAMQZRJIP-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.96
LogD (pH = 5.5)
3.72
Log P
4.38
Rotatable Bonds
14
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
57.53
Polarizability
33.26
Molar Refractivity
74.41
LOG S
-4.45
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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