Molecule

ID:79917

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c1-11-7-8-14(16)13(9-11)15(17)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey
LKOPRDNSXNVRPS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(=O)Cc1ccccc1)O
Isomeric Smiles
O=C(c1cc(ccc1O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
10.467781
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.225085
LogD (pH = 7.4)
4.2247205
Log P
4.225089
Molar Refractivity
68.2048
Polarizability
26.037966
Polar Surface Area
37.3
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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