Molecule
ID:59265
General Information
Molecular Formula
C₆H₁₂BrNO
Molecular Mass
194.06958
Exact Mass
193.01022601
Charge
0
InChI
InChI=1S/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3
InChIKey
NNWWOIPEHSLORU-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N(C)C)Br
Isomeric Smiles
C(=O)(N(C)C)C(Br)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2311895
LogD (pH = 7.4)
1.2311895
Log P
1.2311895
Molar Refractivity
41.0139
Polarizability
15.814452
Polar Surface Area
20.31
Rotatable Bonds
2
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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