Molecule

ID:80103

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄BrNO₂
Molecular Mass
344.20256
Exact Mass
343.02079069
Charge
0
InChI
InChI=1S/C17H14BrNO2/c1-19-14-10-6-5-9-13(14)15(20)17(18,16(19)21)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
IMACAKAEIRNKPG-UHFFFAOYSA-N
Canonic Smiles
CN1c2ccccc2C(=O)C(C1=O)(Br)Cc1ccccc1
Isomeric Smiles
N1(C(=O)C(C(=O)c2ccccc12)(Cc1ccccc1)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6622648
LogD (pH = 7.4)
3.6622648
Log P
3.6622648
Molar Refractivity
84.8451
Polarizability
32.30265
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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