Molecule

ID:16732

General Information
Structure
Molecular Formula
C₁₄H₁₈O₃
Molecular Mass
234.29092
Exact Mass
234.12559444
Charge
0
InChI
InChI=1S/C14H18O3/c1-2-16-14-9-11(10-15)7-8-13(14)17-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3
InChIKey
VPZVFXCBGLZFOZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC1CCCC1
Isomeric Smiles
c1(c(cc(C=O)cc1)OCC)OC1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0819154
LogD (pH = 7.4)
3.0819154
Log P
3.0819154
Molar Refractivity
66.7302
Polarizability
25.735588
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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