Molecule

ID:9911

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂
Molecular Mass
214.25976
Exact Mass
214.09937969
Charge
0
InChI
InChI=1S/C14H14O2/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
YXPFQYIWXTVCKV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1c(ccc(c1)OC)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3823764
LogD (pH = 7.4)
3.3823764
Log P
3.3823764
Molar Refractivity
63.597
Polarizability
24.970654
Polar Surface Area
18.46
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
References
Bioactivity
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