Molecule
ID:28216
General Information
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c16-12-14-7-4-8-15(11-14)17-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
InChIKey
VWVROMYRIBEFSU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
O=Cc1cc(OCCc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5412111
LogD (pH = 7.4)
3.5412111
Log P
3.5412111
Molar Refractivity
68.4728
Polarizability
26.112505
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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