Molecule

ID:16525

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄
Molecular Mass
258.26926
Exact Mass
258.08920893
Charge
0
InChI
InChI=1S/C15H14O4/c1-19-13-9-7-12(8-10-13)15(18,14(16)17)11-5-3-2-4-6-11/h2-10,18H,1H3,(H,16,17)
InChIKey
KWRLXQHDQNHPLW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccccc1)(C(=O)O)O
Isomeric Smiles
C(c1ccc(cc1)OC)(c1ccccc1)(C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.46854
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.37797716
LogD (pH = 7.4)
-0.98467135
Log P
2.3998759
Molar Refractivity
69.9453
Polarizability
27.241829
Polar Surface Area
66.76
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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