Molecule

ID:92545

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉BO₃
Molecular Mass
270.13126
Exact Mass
270.14272487
Charge
0
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3
InChIKey
PUCSCLCOEROOCP-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5332
LogD (pH = 7.4)
4.5332
Log P
4.5332
Molar Refractivity
73.2402
Polarizability
31.849154
Polar Surface Area
31.6
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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