Molecule

ID:43799

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O₃
Molecular Mass
260.1693896
Exact Mass
260.04087675
Charge
0
InChI
InChI=1S/C10H7F3N2O3/c1-17-9(16)8-6-4-5(18-10(11,12)13)2-3-7(6)14-15-8/h2-4H,1H3,(H,14,15)
InChIKey
ISLZQYVEOWEKLD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1n[nH]c2c1cc(cc2)OC(F)(F)F
Isomeric Smiles
c1(n[nH]c2c1cc(OC(F)(F)F)cc2)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.511378
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9167051
LogD (pH = 7.4)
2.9134812
Log P
2.9167466
Molar Refractivity
50.7967
Polarizability
21.054676
Polar Surface Area
64.21
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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