Molecule

ID:59556

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₅
Molecular Mass
258.2262
Exact Mass
258.05282342
Charge
0
InChI
InChI=1S/C14H10O5/c1-18-10-4-2-3-8-13(17)12-9(16)5-7(15)6-11(12)19-14(8)10/h2-6,15-16H,1H3
InChIKey
CCLPDGXDCPXOCN-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc1cc(O)cc(c1c2=O)O
Isomeric Smiles
c12c(=O)c3c(oc1cc(cc2O)O)c(OC)ccc3
Calculated Properties
JChem
Acid pKa
6.4526215
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.779781
LogD (pH = 7.4)
1.8518945
Log P
2.8448384
Molar Refractivity
67.2413
Polarizability
25.743607
Polar Surface Area
75.99
Rotatable Bonds
1
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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