Molecule

ID:53289

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇BO₂
Molecular Mass
168.04108
Exact Mass
168.13216018
Charge
0
InChI
InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3
InChIKey
SVSUYEJKNSMKKW-UHFFFAOYSA-N
Canonic Smiles
CC(=C)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1B(OC(C1(C)C)(C)C)C(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.581
LogD (pH = 7.4)
2.581
Log P
2.581
Molar Refractivity
45.2158
Polarizability
19.709911
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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