Molecule

ID:32382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O₂
Molecular Mass
285.13712
Exact Mass
284.01603967
Charge
0
InChI
InChI=1S/C11H13BrN2O2/c1-2-13-11(16)8-3-5-9(6-4-8)14-10(15)7-12/h3-6H,2,7H2,1H3,(H,13,16)(H,14,15)
InChIKey
SJLGSAXFCYNNPQ-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)c1ccc(cc1)NC(=O)CBr
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CBr)cc1)NCC
Calculated Properties
JChem
Acid pKa
13.134923
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3649193
LogD (pH = 7.4)
1.3649188
Log P
1.3649195
Molar Refractivity
67.3814
Polarizability
24.522411
Polar Surface Area
58.2
Rotatable Bonds
4
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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