Molecule
ID:99211
General Information
Molecular Formula
C₁₁H₁₁ClF₃N₃O
Molecular Mass
293.6727496
Exact Mass
293.05427433
Charge
0
InChI
InChI=1S/C11H11ClF3N3O/c12-9(19)7-2-5-18(6-3-7)10-16-4-1-8(17-10)11(13,14)15/h1,4,7H,2-3,5-6H2
InChIKey
LFSUSYMMCMOVRL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCN(CC1)c1nccc(n1)C(F)(F)F
Isomeric Smiles
n1c(nc(cc1)C(F)(F)F)N1CCC(CC1)C(=O)Cl
Calculated Properties
JChem
Acid pKa
19.72205
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7061996
LogD (pH = 7.4)
2.7066982
Log P
2.7067044
Molar Refractivity
64.939
Polarizability
23.350895
Polar Surface Area
46.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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