Molecule

ID:59748

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₅
Molecular Mass
332.39086
Exact Mass
332.16237387
Charge
0
InChI
InChI=1S/C19H24O5/c1-4-5-6-7-8-15-12(2)14-9-10-16(23-11-17(20)21)13(3)18(14)24-19(15)22/h9-10H,4-8,11H2,1-3H3,(H,20,21)
InChIKey
XVWAHGIUZVRYQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1c(=O)oc2c(c1C)ccc(c2C)OCC(=O)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)OCC(=O)O)C)CCCCCC
Calculated Properties
JChem
Acid pKa
3.2665675
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3203475
LogD (pH = 7.4)
1.1019115
Log P
4.5348816
Molar Refractivity
90.7817
Polarizability
35.237793
Polar Surface Area
72.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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