Molecule

ID:67491

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BBrNO₂
Molecular Mass
283.9573
Exact Mass
283.03792113
Charge
0
InChI
InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(13)14-8/h5-7H,1-4H3
InChIKey
OAVRLCKBKDMGGW-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(n1)Br
Isomeric Smiles
c1(cccc(n1)Br)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4764
LogD (pH = 7.4)
4.4764
Log P
4.4764
Molar Refractivity
62.3347
Polarizability
25.940187
Polar Surface Area
31.35
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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