Molecule

ID:107056

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅BrN₂O₃
Molecular Mass
279.131
Exact Mass
278.02660435
Charge
0
InChI
InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
SAZUGELZHZOXHB-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NC(=O)NC(=O)C)(CC)Br
Isomeric Smiles
CCC(Br)(CC)C(=O)NC(=O)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.231566
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3827888
LogD (pH = 7.4)
1.3821645
Log P
1.3827968
Molar Refractivity
58.2663
Polarizability
22.76626
Polar Surface Area
75.27
Rotatable Bonds
3
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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