Molecule

ID:93145

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₅N
Molecular Mass
197.105376
Exact Mass
197.02639023
Charge
0
InChI
InChI=1S/C7H4F5N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
InChIKey
FFQALBCXGPYQGT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(cc1C(F)(F)F)N
Isomeric Smiles
FC(c1c(cc(c(c1)N)F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.624128
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.307556
LogD (pH = 7.4)
2.3075721
Log P
2.3075721
Molar Refractivity
37.1649
Polarizability
12.561471
Polar Surface Area
26.02
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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