Molecule

ID:97118

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₅N
Molecular Mass
197.105376
Exact Mass
197.02639023
Charge
0
InChI
InChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2
InChIKey
RRTVKWPCWJVMGM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
Nc1c(c(c(cc1)C(F)(F)F)F)F
Calculated Properties
JChem
Acid pKa
17.701576
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3075595
LogD (pH = 7.4)
2.3075721
Log P
2.3075721
Molar Refractivity
37.1649
Polarizability
12.559751
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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