Molecule

ID:98909

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₂
Molecular Mass
245.1978096
Exact Mass
245.06636323
Charge
0
InChI
InChI=1S/C11H10F3NO2/c1-7(16)5-10(17)15-9-4-2-3-8(6-9)11(12,13)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKey
YOTPJLYOOXQHKX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)C(F)(F)F)CC(=O)C
Isomeric Smiles
N(c1cc(ccc1)C(F)(F)F)C(=O)CC(=O)C
Calculated Properties
JChem
Acid pKa
10.6438055
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3106556
LogD (pH = 7.4)
2.3104112
Log P
2.3106587
Molar Refractivity
56.7899
Polarizability
20.21149
Polar Surface Area
46.17
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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