Molecule

ID:95906

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂F₃N₂O₂
Molecular Mass
339.0973896
Exact Mass
337.98366749
Charge
0
InChI
InChI=1S/C12H7Cl2F3N2O2/c13-9-10(14)19(5-18-9)6-21-11(20)7-2-1-3-8(4-7)12(15,16)17/h1-5H,6H2
InChIKey
JZIPRTZKJZPLBH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)C(F)(F)F)OCn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)COC(=O)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0138707
LogD (pH = 7.4)
4.0148635
Log P
4.0148764
Molar Refractivity
71.479
Polarizability
26.51139
Polar Surface Area
44.12
Rotatable Bonds
5
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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