Molecule

ID:27569

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrNO₄
Molecular Mass
312.1161
Exact Mass
310.97931981
Charge
0
InChI
InChI=1S/C12H10BrNO4/c1-2-18-10(15)6-14-9-4-3-7(13)5-8(9)11(16)12(14)17/h3-5H,2,6H2,1H3
InChIKey
IYZPLJFDCGFCGV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1c2ccc(cc2C(=O)C1=O)Br
Isomeric Smiles
N1(C(=O)C(=O)c2c1ccc(c2)Br)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5650476
LogD (pH = 7.4)
1.5650476
Log P
1.5650476
Molar Refractivity
66.816
Polarizability
25.671883
Polar Surface Area
63.68
Rotatable Bonds
4
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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