Molecule

ID:11756

General Information
Structure
MolImage
Molecular Formula
C₄ClF₃N₂
Molecular Mass
168.5044096
Exact Mass
167.97021035
Charge
0
InChI
InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
GOYNRDSJTYLXBU-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(n1)F)Cl
Isomeric Smiles
c1(F)nc(F)c(Cl)c(F)n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3480065
LogD (pH = 7.4)
2.3480065
Log P
2.3480065
Molar Refractivity
30.8529
Polarizability
10.264206
Polar Surface Area
25.78
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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