Molecule

ID:14565

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrFNO₂
Molecular Mass
340.1875032
Exact Mass
339.02701895
Charge
0
InChI
InChI=1S/C15H14FNO2.BrH/c16-13-3-1-2-11(6-13)8-17-9-12-4-5-14-15(7-12)19-10-18-14;/h1-7,17H,8-10H2;1H
InChIKey
QRWPBOCFDBKVJF-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CNCc1ccc2c(c1)OCO2.Br
Isomeric Smiles
c12c(ccc(c1)CNCc1cc(ccc1)F)OCO2.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.16149193
LogD (pH = 7.4)
1.8058094
Log P
3.0220032
Molar Refractivity
69.9019
Polarizability
27.242693
Polar Surface Area
30.49
Rotatable Bonds
4
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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