Molecule

ID:114888

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₃N₃
Molecular Mass
163.1005696
Exact Mass
163.0357318
Charge
0
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h1-2H,(H2,9,10,11)
InChIKey
XJHPDOAHPIXTPH-UHFFFAOYSA-N
Canonic Smiles
FC(c1nccc(n1)N)(F)F
Isomeric Smiles
n1c(C(F)(F)F)nccc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.465019
LogD (pH = 7.4)
1.465093
Log P
1.465094
Molar Refractivity
33.3708
Polarizability
11.164033
Polar Surface Area
51.8
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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