Molecule

ID:72924

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₅
Molecular Mass
270.2369
Exact Mass
270.05282342
Charge
0
InChI
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChIKey
FXNFHKRTJBSTCS-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1
Isomeric Smiles
c1(c(c(c2c(c1)oc(cc2=O)c1ccccc1)O)O)O
Calculated Properties
JChem
Acid pKa
6.755033
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.6833563
LogD (pH = 7.4)
1.9496312
Log P
2.7066891
Molar Refractivity
72.9139
Polarizability
27.111025
Polar Surface Area
86.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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