Molecule

ID:71297

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrNO
Molecular Mass
264.1179
Exact Mass
262.99457595
Charge
0
InChI
InChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
LXKTVNFZAFTUNZ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)OCc1ccccc1
Isomeric Smiles
n1c(OCc2ccccc2)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6855695
LogD (pH = 7.4)
3.6855853
Log P
3.6855855
Molar Refractivity
62.9132
Polarizability
24.276722
Polar Surface Area
22.12
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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