Molecule

ID:72387

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O₂
Molecular Mass
285.13712
Exact Mass
284.01603967
Charge
0
InChI
InChI=1S/C11H13BrN2O2/c1-2-9(12)11(16)14-8-5-3-7(4-6-8)10(13)15/h3-6,9H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKey
NBMWPHHNRLPZCX-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1ccc(cc1)C(=O)N)Br
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)N)cc1)C(Br)CC
Calculated Properties
JChem
Acid pKa
13.003316
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.875722
LogD (pH = 7.4)
1.8757212
Log P
1.8757222
Molar Refractivity
66.754
Polarizability
24.524319
Polar Surface Area
72.19
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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