Molecule

ID:16420

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClFN₃
Molecular Mass
221.6182032
Exact Mass
221.01560308
Charge
0
InChI
InChI=1S/C10H5ClFN3/c11-10-9-8(13-4-14-10)6-3-5(12)1-2-7(6)15-9/h1-4,15H
InChIKey
JJDNZPROOPECEV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c1ncnc(c1[nH]2)Cl
Isomeric Smiles
c12c3c([nH]c1c(ncn2)Cl)ccc(c3)F
Calculated Properties
JChem
Acid pKa
10.656284
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5201466
LogD (pH = 7.4)
2.5199382
Log P
2.5201495
Molar Refractivity
55.847
Polarizability
22.853811
Polar Surface Area
41.57
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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