Molecule

ID:87272

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅BO₂
Molecular Mass
260.1795
Exact Mass
260.19476044
Charge
0
InChI
InChI=1S/C16H25BO2/c1-14(2,3)12-8-10-13(11-9-12)17-18-15(4,5)16(6,7)19-17/h8-11H,1-7H3
InChIKey
SAWJXFQIAPLBEA-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
B1(c2ccc(cc2)C(C)(C)C)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5276
LogD (pH = 7.4)
5.5276
Log P
5.5276
Molar Refractivity
74.379
Polarizability
31.316374
Polar Surface Area
18.46
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
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References
Bioactivity
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