Molecule

ID:21900

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey
PVOSMOVHDHSYCE-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)OCCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)O)OCCc1ccccc1
Calculated Properties
JChem
Acid pKa
8.499749
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6858604
LogD (pH = 7.4)
3.653313
Log P
3.6862917
Molar Refractivity
69.4318
Polarizability
26.784815
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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