Molecule

ID:38373

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃N₃
Molecular Mass
187.1219696
Exact Mass
187.0357318
Charge
0
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
InChIKey
GZOZMIOBJGXNBA-UHFFFAOYSA-N
Canonic Smiles
FC(c1cn2c(n1)cncc2)(F)F
Isomeric Smiles
c12cnccn1cc(n2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8042746
LogD (pH = 7.4)
0.8055594
Log P
0.8055758
Molar Refractivity
39.3812
Polarizability
13.769134
Polar Surface Area
30.19
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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