Molecule

ID:95541

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆BrFN₂O
Molecular Mass
375.2348432
Exact Mass
374.04300336
Charge
0
InChI
InChI=1S/C18H16FN2O.BrH/c19-17-7-5-16(6-8-17)18(22)14-21-11-3-4-15(13-21)12-20-9-1-2-10-20;/h1-11,13H,12,14H2;1H/q+1;/p-1
InChIKey
UGAUOTYMFUAWML-UHFFFAOYSA-M
Canonic Smiles
Fc1ccc(cc1)C(=O)C[n+]1cccc(c1)Cn1cccc1.[Br-]
Isomeric Smiles
[n+]1(cc(ccc1)Cn1cccc1)CC(=O)c1ccc(cc1)F.[Br-]
Calculated Properties
JChem
Acid pKa
15.0817
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.78483737
LogD (pH = 7.4)
-0.78483737
Log P
-0.78483737
Molar Refractivity
84.4427
Polarizability
31.700253
Polar Surface Area
25.88
Rotatable Bonds
5
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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