Molecule

ID:35154

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₃
Molecular Mass
236.3068
Exact Mass
236.1412445
Charge
0
InChI
InChI=1S/C14H20O3/c1-4-16-14-9-12(10-15)5-6-13(14)17-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKey
JBGBOVKMZFRZQJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCCC(C)C
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCC(C)C)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3381317
LogD (pH = 7.4)
3.3381317
Log P
3.3381317
Molar Refractivity
68.7392
Polarizability
26.463495
Polar Surface Area
35.53
Rotatable Bonds
7
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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