Molecule

ID:82454

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃O₂
Molecular Mass
210.0181
Exact Mass
208.97588178
Charge
0
InChI
InChI=1S/C5H5Cl2N3O2/c6-4-5(7)10(2-8-4)1-3(11)9-12/h2,12H,1H2,(H,9,11)
InChIKey
IEDYEGGRRQZQDT-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)CC(=O)NO
Calculated Properties
JChem
Acid pKa
8.719392
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.112068266
LogD (pH = 7.4)
-0.13066308
Log P
-0.11041199
Molar Refractivity
44.2529
Polarizability
16.850924
Polar Surface Area
67.15
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
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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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