Molecule
ID:32242
General Information
Molecular Formula
C₉H₁₈BrNO
Molecular Mass
236.14932
Exact Mass
235.0571762
Charge
0
InChI
InChI=1S/C9H18BrNO/c1-2-3-4-5-6-7-11-9(12)8-10/h2-8H2,1H3,(H,11,12)
InChIKey
IKIDKUUEELNQKF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNC(=O)CBr
Isomeric Smiles
C(=O)(NCCCCCCC)CBr
Calculated Properties
JChem
Acid pKa
13.69871
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5738318
LogD (pH = 7.4)
2.5738316
Log P
2.5738318
Molar Refractivity
54.7759
Polarizability
21.234156
Polar Surface Area
29.1
Rotatable Bonds
7
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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