Molecule

ID:128922

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₆
Molecular Mass
256.25184
Exact Mass
256.09468823
Charge
0
InChI
InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12?/m1/s1
InChIKey
NEZJDVYDSZTRFS-SCWFEDMQSA-N
Canonic Smiles
OC[C@H]1OC(Oc2ccccc2)[C@@H]([C@H]([C@H]1O)O)O
Isomeric Smiles
c1ccc(cc1)OC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
12.200142
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.59838766
LogD (pH = 7.4)
-0.59839445
Log P
-0.5983876
Molar Refractivity
60.1833
Polarizability
24.608507
Polar Surface Area
99.38
Rotatable Bonds
3
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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