Molecule

ID:123156

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrNO₂
Molecular Mass
266.09072
Exact Mass
264.9738405
Charge
0
InChI
InChI=1S/C11H8BrNO2/c12-8-3-4-10(9(7-8)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15)
InChIKey
SMRANFSYHYJPIM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)O)n1cccc1
Isomeric Smiles
c1(c(n2cccc2)ccc(c1)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4981563
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8723507
LogD (pH = 7.4)
-0.6070586
Log P
2.8695
Molar Refractivity
70.6894
Polarizability
23.427904
Polar Surface Area
42.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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