Molecule

ID:95803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅F₃N₂O₂
Molecular Mass
264.2442096
Exact Mass
264.10856239
Charge
0
InChI
InChI=1S/C11H15F3N2O2/c1-16(15)6-9(17)7-18-10-4-2-3-8(5-10)11(12,13)14/h2-5,9,17H,6-7,15H2,1H3
InChIKey
RZVDRMNHGUYJEP-UHFFFAOYSA-N
Canonic Smiles
CN(CC(COc1cccc(c1)C(F)(F)F)O)N
Isomeric Smiles
N(CC(COc1cccc(c1)C(F)(F)F)O)(N)C
Calculated Properties
JChem
Acid pKa
14.032251
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.65673137
LogD (pH = 7.4)
1.0163404
Log P
1.023543
Molar Refractivity
61.6659
Polarizability
23.018036
Polar Surface Area
58.72
Rotatable Bonds
6
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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