Molecule

ID:122126

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₂
Molecular Mass
226.27046
Exact Mass
226.09937969
Charge
0
InChI
InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKey
IOHPVZBSOKLVMN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1CCc1ccccc1
Isomeric Smiles
C(=O)(c1c(CCc2ccccc2)cccc1)O
Calculated Properties
JChem
Acid pKa
3.9052248
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5665317
LogD (pH = 7.4)
0.95630735
Log P
4.1671915
Molar Refractivity
67.6524
Polarizability
25.782534
Polar Surface Area
37.3
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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