Molecule

ID:21909

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-14-8-4-7-13(11-14)15(17)18-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2
InChIKey
PCFBUQIVFWSZBX-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)C(=O)OCCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(O)ccc1)OCCc1ccccc1
Calculated Properties
JChem
Acid pKa
9.139072
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6861928
LogD (pH = 7.4)
3.6784961
Log P
3.6862917
Molar Refractivity
69.4318
Polarizability
26.785376
Polar Surface Area
46.53
Rotatable Bonds
5
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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