Molecule

ID:131494

General Information
Structure
MolImage
Molecular Formula
C₂₅H₅₀O₃
Molecular Mass
398.6627
Exact Mass
398.37599546
Charge
0
InChI
InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
InChIKey
MSVLAXSCPVNLFM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O
Calculated Properties
JChem
Acid pKa
12.708267
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
9.08796
LogD (pH = 7.4)
9.087958
Log P
9.08796
Molar Refractivity
120.1529
Polarizability
48.17435
Polar Surface Area
46.53
Rotatable Bonds
23
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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