Molecule

ID:78281

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BClO₃
Molecular Mass
240.49106
Exact Mass
240.07245239
Charge
0
InChI
InChI=1S/C11H14BClO3/c1-11(2)6-15-12(16-7-11)8-3-4-10(14)9(13)5-8/h3-5,14H,6-7H2,1-2H3
InChIKey
ARGVZFOVGUYNPF-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1Cl)B1OCC(CO1)(C)C
Isomeric Smiles
Oc1ccc(cc1Cl)B1OCC(CO1)(C)C
Calculated Properties
JChem
Acid pKa
7.112714
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3009605
LogD (pH = 7.4)
3.845585
Log P
4.3114
Molar Refractivity
58.0095
Polarizability
24.661499
Polar Surface Area
38.69
Rotatable Bonds
1
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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