Molecule

ID:9569

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₃FN₂O
Molecular Mass
307.5355432
Exact Mass
305.95297408
Charge
0
InChI
InChI=1S/C11H6Cl3FN2O/c12-7-2-1-3-9(15)6(7)5-17-11(18)10(14)8(13)4-16-17/h1-4H,5H2
InChIKey
HBPHPFABRZLERP-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1Cn1ncc(c(c1=O)Cl)Cl)Cl
Isomeric Smiles
c1ccc(c(c1F)Cn1ncc(c(c1=O)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4634943
LogD (pH = 7.4)
3.4634943
Log P
3.4634943
Molar Refractivity
70.074
Polarizability
25.985674
Polar Surface Area
32.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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