Molecule

ID:77157

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BClO₂
Molecular Mass
224.49166
Exact Mass
224.07753777
Charge
0
InChI
InChI=1S/C11H14BClO2/c1-11(2)7-14-12(15-8-11)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
OHPJVGZKIQIBRZ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COB(OC1)c1ccc(cc1)Cl
Isomeric Smiles
B1(c2ccc(cc2)Cl)OCC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5958
LogD (pH = 7.4)
4.5958
Log P
4.5958
Molar Refractivity
56.0286
Polarizability
24.026121
Polar Surface Area
18.46
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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