Molecule

ID:108254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₃
Molecular Mass
234.29092
Exact Mass
234.12559444
Charge
0
InChI
InChI=1S/C14H18O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17)
InChIKey
UMCSRRHQLAVYRS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCC(=O)c1ccccc1
Isomeric Smiles
OC(=O)CCCCCCC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.225698
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8396353
LogD (pH = 7.4)
0.11822323
Log P
3.1340308
Molar Refractivity
65.7581
Polarizability
25.622166
Polar Surface Area
54.37
Rotatable Bonds
8
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
References
Bioactivity
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