Molecule
ID:32320
General Information
Molecular Formula
C₆H₁₂BrNO
Molecular Mass
194.06958
Exact Mass
193.01022601
Charge
0
InChI
InChI=1S/C6H12BrNO/c1-2-3-4-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
InChIKey
FSIWKWBJLWSJFJ-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)CBr
Isomeric Smiles
C(=O)(NCCCC)CBr
Calculated Properties
JChem
Acid pKa
13.399547
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2401258
LogD (pH = 7.4)
1.2401254
Log P
1.2401258
Molar Refractivity
40.9729
Polarizability
15.81277
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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