Molecule

ID:89293

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₂
Molecular Mass
228.28634
Exact Mass
228.11502975
Charge
0
InChI
InChI=1S/C15H16O2/c1-12-7-8-14(10-16)9-15(12)17-11-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3
InChIKey
GBVCRKCGVJJDFL-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)OCc1ccccc1)C
Isomeric Smiles
OCc1cc(c(cc1)C)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.986946
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2861192
LogD (pH = 7.4)
3.2861192
Log P
3.2861192
Molar Refractivity
68.9909
Polarizability
26.674252
Polar Surface Area
29.46
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
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Molecule Details
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References
Bioactivity
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