Molecule

ID:63782

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₃
Molecular Mass
304.42382
Exact Mass
304.20384476
Charge
0
InChI
InChI=1S/C19H28O3/c1-22-19(21)16-12-7-5-3-2-4-6-11-15-18(20)17-13-9-8-10-14-17/h8-10,13-14H,2-7,11-12,15-16H2,1H3
InChIKey
ASTXNWXOCUSENG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCCC(=O)c1ccccc1
Isomeric Smiles
C(CCC(=O)OC)CCCCCCCC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.150484
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0581994
LogD (pH = 7.4)
5.0581994
Log P
5.0581994
Molar Refractivity
88.9312
Polarizability
35.087845
Polar Surface Area
43.37
Rotatable Bonds
13
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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