Molecule

ID:9243

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃N₂O
Molecular Mass
152.0746296
Exact Mass
152.01974739
Charge
0
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(10)9-8-2/h1H2,(H,9,10)
InChIKey
PMTWALQJNWEDLH-UHFFFAOYSA-N
Canonic Smiles
FC(C1=NNC(=O)C1)(F)F
Isomeric Smiles
C1(=NNC(=O)C1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
6.327005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.71714187
LogD (pH = 7.4)
-0.3274884
Log P
0.7773948
Molar Refractivity
25.8284
Polarizability
9.220722
Polar Surface Area
41.46
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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