Molecule

ID:124389

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃O
Molecular Mass
194.0187
Exact Mass
192.98096716
Charge
0
InChI
InChI=1S/C5H5Cl2N3O/c1-3(11)2-10-5(7)8-4(6)9-10/h2H2,1H3
InChIKey
GHHPTRPUNZLOGZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cn1nc(nc1Cl)Cl
Isomeric Smiles
n1c(n(nc1Cl)CC(=O)C)Cl
Calculated Properties
JChem
Acid pKa
18.073946
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3447597
LogD (pH = 7.4)
1.3447597
Log P
1.3447597
Molar Refractivity
54.2957
Polarizability
16.071098
Polar Surface Area
47.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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