Molecule

ID:95299

General Information
Structure
Molecular Formula
C₁₂H₅Cl₃FNO₂
Molecular Mass
320.5310032
Exact Mass
318.93698967
Charge
0
InChI
InChI=1S/C12H5Cl3FNO2/c13-8-5-7(16)1-2-9(8)19-12(18)6-3-10(14)17-11(15)4-6/h1-5H
InChIKey
XJMRTPPUKKXOII-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)OC(=O)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)Oc1ccc(cc1Cl)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.812199
LogD (pH = 7.4)
4.812199
Log P
4.812199
Molar Refractivity
72.4574
Polarizability
27.265047
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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