Molecule

ID:43116

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂FNO₂
Molecular Mass
300.1125232
Exact Mass
298.99161208
Charge
0
InChI
InChI=1S/C13H8Cl2FNO2/c14-10-2-1-3-12(16)9(10)6-17-5-8(7-18)4-11(15)13(17)19/h1-5,7H,6H2
InChIKey
MBJKIJDANCOFLM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)c(=O)n(c1)Cc1c(F)cccc1Cl
Isomeric Smiles
n1(c(=O)c(cc(c1)C=O)Cl)Cc1c(F)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6489809
LogD (pH = 7.4)
2.6489809
Log P
2.6489809
Molar Refractivity
72.4409
Polarizability
26.820559
Polar Surface Area
37.38
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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