Molecule

ID:73020

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈O₆
Molecular Mass
284.22042
Exact Mass
284.03208798
Charge
0
InChI
InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChIKey
FCDLCPWAQCPTKC-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O
Isomeric Smiles
c1ccc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)C(=O)O
Calculated Properties
JChem
H Donor
3
LogD (pH = 5.5)
1.1787103
LogD (pH = 7.4)
-0.26175544
Log P
3.2691584
Molar Refractivity
72.369
Polarizability
26.928041
Polar Surface Area
111.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
3.398774
H Acceptors
6
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
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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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