Molecule

ID:94875

General Information
Structure
Molecular Formula
C₅H₃F₂N
Molecular Mass
115.0808264
Exact Mass
115.02335554
Charge
0
InChI
InChI=1S/C5H3F2N/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
JSXCLIYVGKBOOI-UHFFFAOYSA-N
Canonic Smiles
Fc1cnccc1F
Isomeric Smiles
n1cc(c(cc1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0405778
LogD (pH = 7.4)
1.0409722
Log P
1.0409772
Molar Refractivity
24.3339
Polarizability
8.944433
Polar Surface Area
12.89
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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