Molecule

ID:60689

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrNO₂
Molecular Mass
266.09072
Exact Mass
264.9738405
Charge
0
InChI
InChI=1S/C11H8BrNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h2-4,6H,1,5H2
InChIKey
CUBZPJNMBNGTFC-UHFFFAOYSA-N
Canonic Smiles
C=CCN1C(=O)C(=O)c2c1ccc(c2)Br
Isomeric Smiles
C1(=O)N(c2c(C1=O)cc(cc2)Br)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.315612
LogD (pH = 7.4)
2.315612
Log P
2.315612
Molar Refractivity
60.3764
Polarizability
22.663935
Polar Surface Area
37.38
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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