Molecule

ID:93148

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₅N
Molecular Mass
197.105376
Exact Mass
197.02639023
Charge
0
InChI
InChI=1S/C7H4F5N/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H,13H2
InChIKey
YJWFKYOOAXZKQA-UHFFFAOYSA-N
Canonic Smiles
FC(c1c(F)cc(cc1F)N)(F)F
Isomeric Smiles
FC(c1c(cc(cc1F)N)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.307522
LogD (pH = 7.4)
2.3075716
Log P
2.3075721
Molar Refractivity
37.1649
Polarizability
12.560232
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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