Molecule

ID:127641

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₆
Molecular Mass
302.27876
Exact Mass
302.07903817
Charge
0
InChI
InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13?,16-/m0/s1
InChIKey
WZUVPPKBWHMQCE-VYIIXAMBSA-N
Canonic Smiles
Oc1cc2C[C@]3(C(c2cc1O)c1ccc(c(c1OC3)O)O)O
Isomeric Smiles
Oc1cc2C[C@]3(O)COc4c(O)c(O)ccc4C3c2cc1O
Calculated Properties
JChem
Acid pKa
9.166513
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
1.4732078
LogD (pH = 7.4)
1.4659489
Log P
1.4733008
Molar Refractivity
77.4827
Polarizability
29.463032
Polar Surface Area
110.38
Rotatable Bonds
0
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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