Molecule

ID:58376

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₃
Molecular Mass
234.29092
Exact Mass
234.12559444
Charge
0
InChI
InChI=1S/C14H18O3/c1-8-10(3)14(7-17-12(5)16)11(4)9(2)13(8)6-15/h6H,7H2,1-5H3
InChIKey
JJBGQNLMONPING-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)c(C)c(c(c1C)C)COC(=O)C
Isomeric Smiles
c1(c(c(c(c(c1C)COC(=O)C)C)C)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4132094
LogD (pH = 7.4)
3.4132094
Log P
3.4132094
Molar Refractivity
68.7742
Polarizability
25.563723
Polar Surface Area
43.37
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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