Molecule

ID:51386

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₂N
Molecular Mass
149.5258864
Exact Mass
148.98438319
Charge
0
InChI
InChI=1S/C5H2ClF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
BABNLQDXRCOTJA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)F)Cl
Isomeric Smiles
c1(c(ccc(n1)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4328833
LogD (pH = 7.4)
2.4328833
Log P
2.4328833
Molar Refractivity
31.1681
Polarizability
10.985615
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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