Molecule

ID:10288

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO
Molecular Mass
229.1984096
Exact Mass
229.07144861
Charge
0
InChI
InChI=1S/C11H10F3NO/c12-11(13,14)8-3-5-9(6-4-8)15-7-1-2-10(15)16/h3-6H,1-2,7H2
InChIKey
RNCNLNNXQWEWLX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)N1CCCC1=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1798737
LogD (pH = 7.4)
2.1798737
Log P
2.1798737
Molar Refractivity
52.9059
Polarizability
19.333267
Polar Surface Area
20.31
Rotatable Bonds
2
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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