Molecule

ID:80861

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₂
Molecular Mass
228.28634
Exact Mass
228.11502975
Charge
0
InChI
InChI=1S/C15H16O2/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11,16H,1-2H3
InChIKey
RYESRDXJZHXPKV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccccc1)(O)C
Isomeric Smiles
OC(c1ccc(cc1)OC)(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
13.61737
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.974322
LogD (pH = 7.4)
2.9743218
Log P
2.974322
Molar Refractivity
68.4591
Polarizability
26.750072
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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