Molecule

ID:75797

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈B₂O₄
Molecular Mass
330.03452
Exact Mass
330.21737018
Charge
0
InChI
InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChIKey
UOJCDDLTVQJPGH-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1B(c2ccc(cc2)B2OC(C(O2)(C)C)(C)C)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.7542
LogD (pH = 7.4)
5.7542
Log P
5.7542
Molar Refractivity
85.3682
Polarizability
37.675137
Polar Surface Area
36.92
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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