Molecule

ID:126771

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁O₆+
Molecular Mass
287.24424
Exact Mass
287.05556307
Charge
1
InChI
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
InChIKey
VEVZSMAEJFVWIL-UHFFFAOYSA-O
Canonic Smiles
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O
Isomeric Smiles
Oc1ccc(cc1O)c1[o+]c2cc(O)cc(O)c2cc1O
Calculated Properties
JChem
Acid pKa
6.0099115
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
2.9321935
LogD (pH = 7.4)
1.0552145
Log P
3.0503
Molar Refractivity
84.1131
Polarizability
30.337397
Polar Surface Area
114.29
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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