Molecule

ID:60690

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNO₃
Molecular Mass
268.06354
Exact Mass
266.95310506
Charge
0
InChI
InChI=1S/C10H6BrNO3/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(12)15/h2-4H,1H3
InChIKey
RWHNHBSIKDWLFH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(=O)C(=O)N2C(=O)C
Isomeric Smiles
N1(C(=O)C(=O)c2c1ccc(c2)Br)C(=O)C
Calculated Properties
JChem
Acid pKa
19.083984
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3492945
LogD (pH = 7.4)
1.3492945
Log P
1.3492945
Molar Refractivity
55.8829
Polarizability
21.288832
Polar Surface Area
54.45
Rotatable Bonds
0
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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