Molecule

ID:71327

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅BO₂
Molecular Mass
260.1795
Exact Mass
260.19476044
Charge
0
InChI
InChI=1S/C16H25BO2/c1-12(2)11-13-7-9-14(10-8-13)17-18-15(3,4)16(5,6)19-17/h7-10,12H,11H2,1-6H3
InChIKey
HBCAMNZOIJNSQD-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4907
LogD (pH = 7.4)
5.4907
Log P
5.4907
Molar Refractivity
74.5049
Polarizability
31.317719
Polar Surface Area
18.46
Rotatable Bonds
3
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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