Molecule

ID:83433

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₈BrNO
Molecular Mass
392.28842
Exact Mass
391.0571762
Charge
0
InChI
InChI=1S/C22H18BrNO/c23-16-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)24(21(22)25)15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKey
MCHULFOLTGHTHS-UHFFFAOYSA-N
Canonic Smiles
BrCC1(c2ccccc2)c2ccccc2N(C1=O)Cc1ccccc1
Isomeric Smiles
N1(C(=O)C(c2ccccc12)(c1ccccc1)CBr)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.15271
LogD (pH = 7.4)
5.15271
Log P
5.15271
Molar Refractivity
104.1726
Polarizability
39.896305
Polar Surface Area
20.31
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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