Molecule

ID:16740

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₃
Molecular Mass
234.29092
Exact Mass
234.12559444
Charge
0
InChI
InChI=1S/C14H18O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKey
FZBZSICHGJRTAK-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(CC=C)cc(cc1OC)C=O
Isomeric Smiles
c1(c(cc(cc1OC)C=O)CC=C)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3483067
LogD (pH = 7.4)
3.3483067
Log P
3.3483067
Molar Refractivity
69.1283
Polarizability
26.219582
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
No Data Available
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Molecule Details
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References
Bioactivity
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