Molecule

ID:35472

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂O
Molecular Mass
232.2023496
Exact Mass
232.08234764
Charge
0
InChI
InChI=1S/C10H11F3N2O/c1-14-6-9(16)15-8-5-3-2-4-7(8)10(11,12)13/h2-5,14H,6H2,1H3,(H,15,16)
InChIKey
AWFQIOMHGADMGU-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)Nc1ccccc1C(F)(F)F
Isomeric Smiles
C(c1c(NC(=O)CNC)cccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
12.315925
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1588469
LogD (pH = 7.4)
0.53371745
Log P
1.5972552
Molar Refractivity
55.029
Polarizability
19.743877
Polar Surface Area
41.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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