Molecule

ID:57619

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClF₃N₂O₂
Molecular Mass
270.6361096
Exact Mass
270.03828991
Charge
0
InChI
InChI=1S/C9H10ClF3N2O2/c1-3-17-6(16)4-15-5(2)7(10)8(14-15)9(11,12)13/h3-4H2,1-2H3
InChIKey
HUNTWKCKPLUKBV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nc(c(c1C)Cl)C(F)(F)F
Isomeric Smiles
n1(c(c(c(n1)C(F)(F)F)Cl)C)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4490957
LogD (pH = 7.4)
2.449096
Log P
2.449096
Molar Refractivity
66.1199
Polarizability
20.485434
Polar Surface Area
44.12
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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