Molecule

ID:26137

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₄
Molecular Mass
262.30102
Exact Mass
262.12050906
Charge
0
InChI
InChI=1S/C15H18O4/c1-18-14-9-11(10-16)7-8-13(14)19-15(17)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKey
YCEBTYIAJWTZQH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)C1CCCCC1
Isomeric Smiles
C(=O)(Oc1c(cc(C=O)cc1)OC)C1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.24884
LogD (pH = 7.4)
3.24884
Log P
3.24884
Molar Refractivity
71.4398
Polarizability
27.658327
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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