Molecule

ID:8182

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO
Molecular Mass
175.1079696
Exact Mass
175.02449841
Charge
0
InChI
InChI=1S/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
InChIKey
BWWGEHSEZGXEKB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)C(=O)N)F
Isomeric Smiles
c1(c(C(=O)N)c(F)c(F)cc1)F
Calculated Properties
JChem
Acid pKa
10.7500725
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2519941
LogD (pH = 7.4)
1.252165
Log P
1.2519919
Molar Refractivity
35.7856
Polarizability
12.61354
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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