Molecule

ID:129162

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₅
Molecular Mass
282.2476
Exact Mass
282.05282342
Charge
0
InChI
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
InChIKey
KNJNBKINYHZUGC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCO2
Isomeric Smiles
C1Oc2c(O1)cc(cc2)c1coc2c(c1=O)ccc(c2)O
Calculated Properties
JChem
Acid pKa
6.4778414
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.6140995
LogD (pH = 7.4)
1.7105304
Log P
2.6572366
Molar Refractivity
73.488
Polarizability
28.35956
Polar Surface Area
64.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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