Molecule

ID:73370

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆BrNO
Molecular Mass
292.25564
Exact Mass
291.11977646
Charge
0
InChI
InChI=1S/C13H26BrNO/c1-8(2)10(9(3)4)15-12(16)11(14)13(5,6)7/h8-11H,1-7H3,(H,15,16)
InChIKey
DKPYUPHASCKUQG-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(C)C)NC(=O)C(C(C)(C)C)Br)C
Isomeric Smiles
N(C(C(C)C)C(C)C)C(=O)C(C(C)(C)C)Br
Calculated Properties
JChem
Acid pKa
13.727732
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2988605
LogD (pH = 7.4)
4.2988605
Log P
4.2988605
Molar Refractivity
72.1455
Polarizability
28.522808
Polar Surface Area
29.1
Rotatable Bonds
5
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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