Molecule

ID:95268

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClF₃N₂O₃
Molecular Mass
310.6569096
Exact Mass
310.03320453
Charge
0
InChI
InChI=1S/C11H10ClF3N2O3/c12-8-6-9(16-1-3-20-4-2-16)10(17(18)19)5-7(8)11(13,14)15/h5-6H,1-4H2
InChIKey
SLNXEZONKBFODJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(c(cc1N1CCOCC1)Cl)C(F)(F)F
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)C(F)(F)F)Cl)N1CCOCC1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2846665
LogD (pH = 7.4)
3.2846665
Log P
3.2846665
Molar Refractivity
67.6643
Polarizability
24.071367
Polar Surface Area
58.29
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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