Molecule

ID:61347

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₅
Molecular Mass
282.2476
Exact Mass
282.05282342
Charge
0
InChI
InChI=1S/C16H10O5/c17-10-2-3-11-13(7-10)21-15(16(11)18)6-9-1-4-12-14(5-9)20-8-19-12/h1-7,17H,8H2/b15-6-
InChIKey
VDONNSGYFLFOCD-UUASQNMZSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O
Isomeric Smiles
C\1(=C\c2cc3c(OCO3)cc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524105
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.5189173
LogD (pH = 7.4)
2.330752
Log P
2.5219424
Molar Refractivity
74.7941
Polarizability
28.362059
Polar Surface Area
64.99
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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