Molecule

ID:64995

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅BO₃
Molecular Mass
288.1896
Exact Mass
288.18967506
Charge
0
InChI
InChI=1S/C17H25BO3/c1-12-6-9-15(19-11-13-7-8-13)14(10-12)18-20-16(2,3)17(4,5)21-18/h6,9-10,13H,7-8,11H2,1-5H3
InChIKey
FDACVYOXAXFBCX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)OCC1CC1
Isomeric Smiles
c1(ccc(c(c1)B1OC(C(O1)(C)C)(C)C)OCC1CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8248
LogD (pH = 7.4)
4.8248
Log P
4.8248
Molar Refractivity
79.1595
Polarizability
33.082184
Polar Surface Area
27.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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