Molecule

ID:87790

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₆B₂O₆
Molecular Mass
466.18244
Exact Mass
466.26979967
Charge
0
InChI
InChI=1S/C26H36B2O6/c1-23(2)24(3,4)32-27(31-23)19-9-13-21(14-10-19)29-17-18-30-22-15-11-20(12-16-22)28-33-25(5,6)26(7,8)34-28/h9-16H,17-18H2,1-8H3
InChIKey
WYXYACQNJWQTSI-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1C(C(OB1c1ccc(cc1)OCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
7.1176
LogD (pH = 7.4)
7.1176
Log P
7.1176
Molar Refractivity
122.3836
Polarizability
52.30145
Polar Surface Area
55.38
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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