Molecule

ID:61898

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄N₂O
Molecular Mass
208.1130728
Exact Mass
208.02597564
Charge
0
InChI
InChI=1S/C7H4F4N2O/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14/h1-2H,(H2,12,14)
InChIKey
RENAIDXERMUVMQ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ncc(cc1F)C(F)(F)F
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1F)C(=O)N
Calculated Properties
JChem
Acid pKa
12.313527
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0126145
LogD (pH = 7.4)
1.0126191
Log P
1.0126144
Molar Refractivity
38.7976
Polarizability
13.678526
Polar Surface Area
55.98
Rotatable Bonds
2
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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