Molecule

ID:42488

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClF₃N₂O₂
Molecular Mass
292.6416296
Exact Mass
292.02263985
Charge
0
InChI
InChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-9(11(13,14)15)16-7-4-3-6(12)5-17(7)8/h3-5H,2H2,1H3
InChIKey
IPBOOGRUZIRYPJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nc2n1cc(Cl)cc2)C(F)(F)F
Isomeric Smiles
c1cc(cn2c1nc(c2C(=O)OCC)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9074621
LogD (pH = 7.4)
2.9075775
Log P
2.907579
Molar Refractivity
62.9943
Polarizability
22.87509
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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