Molecule

ID:22277

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)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChIKey
LCFDJWUYKUPBJM-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)cc[nH]2)(F)F
Isomeric Smiles
c1(ccc2c(c1)cc[nH]2)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.35216
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
16.52495
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
No Data Available
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Molecule Details
References
Bioactivity
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