Molecule

ID:92164

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrN₂O₂
Molecular Mass
271.11054
Exact Mass
270.0003896
Charge
0
InChI
InChI=1S/C10H11BrN2O2/c11-9-5-8(6-12-7-9)10(14)13-1-3-15-4-2-13/h5-7H,1-4H2
InChIKey
DGXAEBFHFVGRSH-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1)C(=O)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)C(=O)c1cc(cnc1)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6037114
LogD (pH = 7.4)
0.6038166
Log P
0.603818
Molar Refractivity
59.4702
Polarizability
22.546629
Polar Surface Area
42.43
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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