Molecule

ID:104148

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2
InChIKey
UWHUTZOCTZJUKC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OCC1(C2c2cc(O)c(cc2C1)O)O
Isomeric Smiles
Oc1cc2c(cc1)C1c3c(CC1(O)CO2)cc(O)c(O)c3
Calculated Properties
JChem
Acid pKa
9.145297
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
1.7767686
LogD (pH = 7.4)
1.7691447
Log P
1.7768662
Molar Refractivity
75.5018
Polarizability
28.81357
Polar Surface Area
90.15
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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