Molecule

ID:123855

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2
InChIKey
GXANCFOKAWEPIS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)OCC1OC1
Isomeric Smiles
O1C(C1)COc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3040664
LogD (pH = 7.4)
3.3040664
Log P
3.3040664
Molar Refractivity
66.4021
Polarizability
27.498522
Polar Surface Area
21.76
Rotatable Bonds
4
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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