Molecule

ID:78308

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀BClO₄
Molecular Mass
358.6237
Exact Mass
358.1143172
Charge
0
InChI
InChI=1S/C19H20BClO4/c1-19(2)12-24-20(25-13-19)16-10-15(8-9-17(16)21)18(22)23-11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3
InChIKey
PTWIOVJHQURFBU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)B1OCC(CO1)(C)C)Cl)OCc1ccccc1
Isomeric Smiles
O(C(=O)c1cc(c(cc1)Cl)B1OCC(CO1)(C)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.52
LogD (pH = 7.4)
6.52
Log P
6.52
Molar Refractivity
92.6665
Polarizability
38.049084
Polar Surface Area
44.76
Rotatable Bonds
5
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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