Molecule

ID:42649

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃N₂O₂
Molecular Mass
220.1485896
Exact Mass
220.04596213
Charge
0
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKey
LOSFVIMHTOMZKT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Nc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
c1(ccc(cc1)NC(=O)N)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
14.122187
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3085222
LogD (pH = 7.4)
2.3085222
Log P
2.3085222
Molar Refractivity
42.668
Polarizability
16.615139
Polar Surface Area
64.35
Rotatable Bonds
3
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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