Molecule

ID:64319

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BO₂
Molecular Mass
218.09976
Exact Mass
218.14781025
Charge
0
InChI
InChI=1S/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
InChIKey
XDKYCZBGHPGKEP-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3676
LogD (pH = 7.4)
4.3676
Log P
4.3676
Molar Refractivity
60.7543
Polarizability
25.780952
Polar Surface Area
18.46
Rotatable Bonds
1
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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