Molecule
ID:54045
General Information
Molecular Formula
C₆H₉Br₂NO
Molecular Mass
270.94976
Exact Mass
268.90508791
Charge
0
InChI
InChI=1S/C6H9Br2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10)
InChIKey
KJIRIIANVAJNNI-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCCCC1(Br)Br
Isomeric Smiles
C1(=O)NCCCCC1(Br)Br
Calculated Properties
JChem
Acid pKa
9.2576475
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3364544
LogD (pH = 7.4)
1.3310566
Log P
1.3365238
Molar Refractivity
47.3133
Polarizability
18.218157
Polar Surface Area
29.1
Rotatable Bonds
0
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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