Molecule

ID:83218

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈BrNO
Molecular Mass
404.29912
Exact Mass
403.0571762
Charge
0
InChI
InChI=1S/C23H18NO.BrH/c25-23(17-24-15-14-19-8-4-5-9-22(19)16-24)21-12-10-20(11-13-21)18-6-2-1-3-7-18;/h1-16H,17H2;1H/q+1;/p-1
InChIKey
QXNMGEZJXDXNTN-UHFFFAOYSA-M
Canonic Smiles
O=C(c1ccc(cc1)c1ccccc1)C[n+]1ccc2c(c1)cccc2.[Br-]
Isomeric Smiles
[n+]1(cc2ccccc2cc1)CC(=O)c1ccc(cc1)c1ccccc1.[Br-]
Calculated Properties
JChem
Acid pKa
15.069323
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6811295
LogD (pH = 7.4)
0.6811295
Log P
0.6811295
Molar Refractivity
101.5446
Polarizability
41.703804
Polar Surface Area
20.95
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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