Molecule

ID:127447

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂O
Molecular Mass
232.2023496
Exact Mass
232.08234764
Charge
0
InChI
InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKey
RZILCCPWPBTYDO-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C
Calculated Properties
JChem
Acid pKa
13.216207
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2026112
LogD (pH = 7.4)
2.2026107
Log P
2.2026112
Molar Refractivity
55.3648
Polarizability
19.395214
Polar Surface Area
32.34
Rotatable Bonds
2
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
References
Bioactivity
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