Molecule

ID:59319

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉BrN₂O₂
Molecular Mass
291.18476
Exact Mass
290.06298986
Charge
0
InChI
InChI=1S/C11H19BrN2O2/c1-5-15-10(16-6-2)7-14-9(4)11(12)8(3)13-14/h10H,5-7H2,1-4H3
InChIKey
IKYOWYAQODKQAL-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1nc(c(c1C)Br)C)OCC
Isomeric Smiles
n1(nc(c(c1C)Br)C)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.445624
LogD (pH = 7.4)
2.446324
Log P
2.446333
Molar Refractivity
78.6472
Polarizability
25.897276
Polar Surface Area
36.28
Rotatable Bonds
6
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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