Molecule

ID:136241

General Information
Structure
Molecular Formula
C₁₁H₁₀BBrFNO₄
Molecular Mass
329.9148032
Exact Mass
328.98702843
Charge
0
InChI
InChI=1S/C11H10BBrFNO4/c1-15-5-10(16)18-12(19-11(17)6-15)7-2-8(13)4-9(14)3-7/h2-4H,5-6H2,1H3
InChIKey
ABRYALMIBLCOGS-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C)CC(=O)OB(O1)c1cc(F)cc(c1)Br
Isomeric Smiles
B1(OC(=O)CN(CC(=O)O1)C)c1cc(cc(c1)Br)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1018407
LogD (pH = 7.4)
3.1063423
Log P
3.1064
Molar Refractivity
63.6156
Polarizability
26.567299
Polar Surface Area
55.84
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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