Molecule

ID:117110

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₃N₂
Molecular Mass
148.0859296
Exact Mass
148.02483277
Charge
0
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H
InChIKey
BQDJLAWUTBCDHK-UHFFFAOYSA-N
Canonic Smiles
FC(c1ncccn1)(F)F
Isomeric Smiles
C(c1ncccn1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6194319
LogD (pH = 7.4)
1.6194319
Log P
1.6194319
Molar Refractivity
28.3569
Polarizability
9.989435
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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