Molecule

ID:62349

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O₂
Molecular Mass
285.13712
Exact Mass
284.01603967
Charge
0
InChI
InChI=1S/C11H13BrN2O2/c1-8(15)14-4-5-16-11(7-14)10-3-2-9(12)6-13-10/h2-3,6,11H,4-5,7H2,1H3
InChIKey
AITLTTFOFCSXGL-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)C1OCCN(C1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CC(c2ncc(cc2)Br)OCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.76742554
LogD (pH = 7.4)
0.7675433
Log P
0.76754487
Molar Refractivity
62.6354
Polarizability
24.544947
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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