Molecule

ID:32063

General Information
Structure
MolImage
Molecular Formula
C₄HClF₂N₂
Molecular Mass
150.5139464
Exact Mass
149.97963216
Charge
0
InChI
InChI=1S/C4HClF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
XZSZSTCLQANXKU-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(n1)F)Cl
Isomeric Smiles
c1(nc(c(cn1)Cl)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8113738
LogD (pH = 7.4)
1.8113738
Log P
1.8113738
Molar Refractivity
29.6218
Polarizability
10.256508
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
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References
Bioactivity
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