Molecule

ID:61309

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₄
Molecular Mass
268.26408
Exact Mass
268.07355886
Charge
0
InChI
InChI=1S/C16H12O4/c1-19-14-5-3-2-4-11(14)13-9-20-15-8-10(17)6-7-12(15)16(13)18/h2-9,17H,1H3
InChIKey
AHLHZSCENKUUSF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1coc2c(c1=O)ccc(c2)O
Isomeric Smiles
c1(c(=O)c2c(oc1)cc(cc2)O)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
6.4729533
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.8327308
LogD (pH = 7.4)
1.9255459
Log P
2.8763318
Molar Refractivity
74.1843
Polarizability
28.390398
Polar Surface Area
55.76
Rotatable Bonds
2
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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