Molecule

ID:61306

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₅
Molecular Mass
288.29524
Exact Mass
288.09977361
Charge
0
InChI
InChI=1S/C16H16O5/c1-20-15-6-3-10(8-16(15)21-2)7-13(18)12-5-4-11(17)9-14(12)19/h3-6,8-9,17,19H,7H2,1-2H3
InChIKey
LRXMMYWDVBYTPO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC(=O)c1ccc(cc1O)O
Isomeric Smiles
c1(C(=O)Cc2cc(c(cc2)OC)OC)c(cc(cc1)O)O
Calculated Properties
JChem
Acid pKa
7.874374
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.0909424
LogD (pH = 7.4)
2.9680936
Log P
3.09276
Molar Refractivity
78.0709
Polarizability
29.917088
Polar Surface Area
75.99
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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