Molecule

ID:91520

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrNO₂
Molecular Mass
266.09072
Exact Mass
264.9738405
Charge
0
InChI
InChI=1S/C11H8BrNO2/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKey
CMTNTOFWPRCRJV-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)C)Br
Isomeric Smiles
N1(c2cc(c(cc2)Br)C)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5279047
LogD (pH = 7.4)
2.5279057
Log P
2.5279057
Molar Refractivity
60.6897
Polarizability
22.614162
Polar Surface Area
37.38
Rotatable Bonds
1
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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