Molecule

ID:32380

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁BrN₂O
Molecular Mass
265.19054
Exact Mass
264.0837253
Charge
0
InChI
InChI=1S/C10H21BrN2O/c11-9-10(14)13-8-6-4-2-1-3-5-7-12/h1-9,12H2,(H,13,14)
InChIKey
NXGCGEBEWPKISI-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCNC(=O)CBr
Isomeric Smiles
C(=O)(NCCCCCCCCN)CBr
Calculated Properties
JChem
Acid pKa
13.77464
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5491474
LogD (pH = 7.4)
-1.1293496
Log P
1.47484
Molar Refractivity
62.9631
Polarizability
24.578642
Polar Surface Area
55.12
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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