Molecule
ID:124415
General Information
Molecular Formula
C₅H₅Cl₂N₃O₂
Molecular Mass
210.0181
Exact Mass
208.97588178
Charge
0
InChI
InChI=1S/C5H5Cl2N3O2/c1-12-3(11)2-10-5(7)8-4(6)9-10/h2H2,1H3
InChIKey
UQLJFHOEIHVNIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1nc(nc1Cl)Cl
Isomeric Smiles
n1c(n(nc1Cl)CC(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1610283
LogD (pH = 7.4)
1.1610283
Log P
1.1610283
Molar Refractivity
55.5137
Polarizability
16.852985
Polar Surface Area
57.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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