Molecule

ID:61300

General Information
Structure
Molecular Formula
C₁₀H₄F₃NO₂
Molecular Mass
227.1394696
Exact Mass
227.01941303
Charge
0
InChI
InChI=1S/C10H4F3NO2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4H
InChIKey
PHOCESHVSZLHJP-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1cc(F)c(c(c1)F)F
Isomeric Smiles
N1(c2cc(c(c(c2)F)F)F)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6738366
LogD (pH = 7.4)
1.6738374
Log P
1.6738374
Molar Refractivity
48.6749
Polarizability
17.393507
Polar Surface Area
37.38
Rotatable Bonds
1
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
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References
Bioactivity
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