Molecule

ID:122994

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrNO₂
Molecular Mass
268.1066
Exact Mass
266.98949057
Charge
0
InChI
InChI=1S/C11H10BrNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
GYMIIVHLZZZWAD-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CC(=O)O)c2c([nH]1)ccc(c2)Br
Isomeric Smiles
c1(c([nH]c2c1cc(cc2)Br)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.621366
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8033278
LogD (pH = 7.4)
-0.6573937
Log P
2.67807
Molar Refractivity
61.2246
Polarizability
24.239521
Polar Surface Area
53.09
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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