Molecule

ID:65720

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂NO
Molecular Mass
264.90212
Exact Mass
262.85813772
Charge
0
InChI
InChI=1S/C6H3Br2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H
InChIKey
WLVSMYGKISJRMN-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)ncc1C=O
Isomeric Smiles
c1(ncc(c(c1)Br)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2111027
LogD (pH = 7.4)
2.211103
Log P
2.211103
Molar Refractivity
46.5729
Polarizability
17.456976
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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