Molecule

ID:89912

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀BClO₄
Molecular Mass
310.5809
Exact Mass
310.1143172
Charge
0
InChI
InChI=1S/C15H20BClO4/c1-6-19-13(18)11-8-7-10(9-12(11)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChIKey
GYLSDPPQNVGXBD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(c2cc(c(cc2)C(=O)OCC)Cl)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.9085
LogD (pH = 7.4)
4.9085
Log P
4.9085
Molar Refractivity
77.2918
Polarizability
32.16613
Polar Surface Area
44.76
Rotatable Bonds
4
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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