Molecule

ID:114249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂FN₂
Molecular Mass
243.0645032
Exact Mass
241.98138175
Charge
0
InChI
InChI=1S/C10H5Cl2FN2/c11-7-5-6(1-2-8(7)13)9-3-4-10(12)15-14-9/h1-5H
InChIKey
YTIABLSLZDHADY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(c(c1)Cl)F
Isomeric Smiles
n1nc(ccc1c1cc(c(cc1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3798451
LogD (pH = 7.4)
3.3798475
Log P
3.3798475
Molar Refractivity
59.4159
Polarizability
23.025923
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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