Molecule

ID:9266

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₃N
Molecular Mass
185.1458496
Exact Mass
185.04523386
Charge
0
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
InChIKey
BPYBYPREOVLFED-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)[nH]cc2)(F)F
Isomeric Smiles
c1c(cc2[nH]ccc2c1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.123491
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.9498563
LogD (pH = 7.4)
2.9498563
Log P
2.9498563
Molar Refractivity
43.1182
Polarizability
16.525087
Polar Surface Area
15.79
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
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Molecule Details
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References
Bioactivity
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