Molecule

ID:20579

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrNO₂
Molecular Mass
268.1066
Exact Mass
266.98949057
Charge
0
InChI
InChI=1S/C11H10BrNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h1-6H,7,13H2
InChIKey
QEYYUIZKPYAQOG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)OCc1ccco1
Isomeric Smiles
c1(cc(ccc1OCc1occc1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5367444
LogD (pH = 7.4)
2.5400784
Log P
2.540121
Molar Refractivity
61.8479
Polarizability
23.276426
Polar Surface Area
48.39
Rotatable Bonds
3
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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