Molecule

ID:128241

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₇
Molecular Mass
306.26746
Exact Mass
306.07395279
Charge
0
InChI
InChI=1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H
InChIKey
JEUXGAUBSWADEA-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C(Oc2c1ccc(c2O)O)c1ccc(c(c1)O)O
Isomeric Smiles
c1cc(c(cc1C1C(C(c2c(O1)c(c(cc2)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
9.007457
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
0.8759768
LogD (pH = 7.4)
0.8655299
Log P
0.87611085
Molar Refractivity
75.2072
Polarizability
29.162273
Polar Surface Area
130.61
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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