Molecule

ID:66441

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈BrNO
Molecular Mass
262.10202
Exact Mass
260.97892588
Charge
0
InChI
InChI=1S/C12H8BrNO/c13-12-7-3-6-11(14-12)10-5-2-1-4-9(10)8-15/h1-8H
InChIKey
NMTDJPCRYLCAHM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1cccc(n1)Br
Isomeric Smiles
C(=O)c1c(cccc1)c1cccc(n1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.475424
LogD (pH = 7.4)
3.475426
Log P
3.475426
Molar Refractivity
63.7143
Polarizability
25.010675
Polar Surface Area
29.96
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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