Molecule

ID:41452

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂FNO
Molecular Mass
286.1290032
Exact Mass
285.01234753
Charge
0
InChI
InChI=1S/C13H10Cl2FNO/c14-10-5-11(15)13(6-12(10)17)18-7-8-2-1-3-9(16)4-8/h1-6H,7,17H2
InChIKey
CTGSZPQSDCVLRR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COc1cc(N)c(cc1Cl)Cl
Isomeric Smiles
c1c(c(cc(c1N)Cl)Cl)OCc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
19.950006
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0618415
LogD (pH = 7.4)
4.061912
Log P
4.061913
Molar Refractivity
71.6602
Polarizability
27.045805
Polar Surface Area
35.25
Rotatable Bonds
3
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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