Molecule

ID:128137

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁O₅+
Molecular Mass
271.24484
Exact Mass
271.06064845
Charge
1
InChI
InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1
InChIKey
GDNIGMNXEKGFIP-UHFFFAOYSA-O
Canonic Smiles
Oc1cc(O)c2c(c1)[o+]c(cc2)c1ccc(c(c1)O)O
Isomeric Smiles
c1cc(c(cc1c1[o+]c2cc(cc(c2cc1)O)O)O)O
Calculated Properties
JChem
Acid pKa
6.5797305
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
3.2998338
LogD (pH = 7.4)
2.2677045
Log P
3.3347
Molar Refractivity
82.1322
Polarizability
29.732279
Polar Surface Area
94.06
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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