Molecule

ID:100511

General Information
Structure
Molecular Formula
C₇H₃F₃N₂O
Molecular Mass
188.1067296
Exact Mass
188.01974739
Charge
0
InChI
InChI=1S/C7H3F3N2O/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H
InChIKey
NPNSLWNYSKEJOT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)non2)(F)F
Isomeric Smiles
o1nc2ccc(cc2n1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.201117
LogD (pH = 7.4)
2.201117
Log P
2.201117
Molar Refractivity
38.1085
Polarizability
14.250536
Polar Surface Area
38.92
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
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Molecule Details
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References
Bioactivity
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