Molecule

ID:50806

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
InChIKey
FYXQIMAAEMCZLV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ccc(cc1)O
Isomeric Smiles
C(=O)(c1ccc(c2ccc(cc2)O)cc1)OCC
Calculated Properties
JChem
Acid pKa
9.813426
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6771698
LogD (pH = 7.4)
3.6755276
Log P
3.6771908
Molar Refractivity
69.949
Polarizability
28.157904
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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