Molecule

ID:7818

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
ZLLQTDQOTFCCDF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(OCc2ccccc2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5435247
LogD (pH = 7.4)
3.5435247
Log P
3.5435247
Molar Refractivity
69.1591
Polarizability
26.853096
Polar Surface Area
35.53
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
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Molecule Details
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References
Bioactivity
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