Molecule

ID:75877

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃BO₃
Molecular Mass
310.19512
Exact Mass
310.174025
Charge
0
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-8-9-15(13-16)14-21-17-11-6-5-7-12-17/h5-13H,14H2,1-4H3
InChIKey
AFDZGEOQKHIWKF-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)COc1ccccc1
Isomeric Smiles
O1B(c2cccc(c2)COc2ccccc2)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.4243
LogD (pH = 7.4)
5.4243
Log P
5.4243
Molar Refractivity
86.7889
Polarizability
36.128277
Polar Surface Area
27.69
Rotatable Bonds
4
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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