Molecule

ID:99753

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClF₃N
Molecular Mass
169.5322296
Exact Mass
168.99061144
Charge
0
InChI
InChI=1S/C5H3ClF3N/c6-5(9)3(2-10)1-4(5,7)8/h3H,1H2
InChIKey
UTOYDUSNBSGAKD-UHFFFAOYSA-N
Canonic Smiles
N#CC1CC(C1(F)Cl)(F)F
Isomeric Smiles
N#CC1CC(C1(F)Cl)(F)F
Calculated Properties
JChem
Acid pKa
12.808917
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6199343
LogD (pH = 7.4)
1.6199328
Log P
1.6199344
Molar Refractivity
28.9401
Polarizability
10.723191
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
References
Bioactivity
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