Molecule

ID:62363

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O₂
Molecular Mass
285.13712
Exact Mass
284.01603967
Charge
0
InChI
InChI=1S/C11H13BrN2O2/c1-8(15)14-5-6-16-10(7-14)9-3-2-4-11(12)13-9/h2-4,10H,5-7H2,1H3
InChIKey
FZONIGROQZEXBZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC(OCC1)c1cccc(n1)Br
Isomeric Smiles
N1(C(=O)C)CC(c2nc(Br)ccc2)OCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9730653
LogD (pH = 7.4)
0.97306687
Log P
0.97306687
Molar Refractivity
63.4776
Polarizability
24.59394
Polar Surface Area
42.43
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
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Molecule Details
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References
Bioactivity
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