Molecule

ID:28633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNO₄
Molecular Mass
284.06294
Exact Mass
282.94801968
Charge
0
InChI
InChI=1S/C10H6BrNO4/c11-5-1-2-6-7(3-5)10(16)12(9(6)15)4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKey
JCUKVUYSOJWGSD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)c2c(C1=O)ccc(c2)Br
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)Br)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.2646563
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8933557
LogD (pH = 7.4)
-2.3550045
Log P
1.163835
Molar Refractivity
57.9189
Polarizability
21.510729
Polar Surface Area
74.68
Rotatable Bonds
2
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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