Molecule

ID:32694

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BClNO₂
Molecular Mass
239.5063
Exact Mass
239.08843681
Charge
0
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChIKey
IEFBTHROULVUAH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1c(ccc(n1)Cl)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4771988
LogD (pH = 7.4)
3.4772
Log P
3.4772
Molar Refractivity
59.4223
Polarizability
25.04393
Polar Surface Area
31.35
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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