Molecule

ID:132063

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₀O₃
Molecular Mass
340.5405
Exact Mass
340.29774514
Charge
0
InChI
InChI=1S/C21H40O3/c1-3-4-5-14-17-20(22)18-15-12-10-8-6-7-9-11-13-16-19-21(23)24-2/h12,15,20,22H,3-11,13-14,16-19H2,1-2H3/b15-12-/t20-/m1/s1
InChIKey
NIOKVQPUJKYTOZ-NLBZTSMMSA-N
Canonic Smiles
CCCCCC[C@H](C/C=C\CCCCCCCCCC(=O)OC)O
Isomeric Smiles
CCCCCC[C@H](C/C=C\CCCCCCCCCC(=O)OC)O
Calculated Properties
JChem
Acid pKa
18.401257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.4321113
LogD (pH = 7.4)
6.4321113
Log P
6.4321113
Molar Refractivity
103.0428
Polarizability
40.558056
Polar Surface Area
46.53
Rotatable Bonds
18
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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