Molecule

ID:84284

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl₂N₃O₂
Molecular Mass
262.09266
Exact Mass
261.0071819
Charge
0
InChI
InChI=1S/C9H9Cl2N3O2/c1-5(2)14-16-9(15)12-6-3-7(10)13-8(11)4-6/h3-4H,1-2H3,(H,12,13,15)
InChIKey
VJBFCDMUXRSVPR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)ON=C(C)C
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)ON=C(C)C)Cl
Calculated Properties
JChem
Acid pKa
11.96734
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.5971217
LogD (pH = 7.4)
2.5971117
Log P
2.597123
Molar Refractivity
63.8751
Polarizability
23.447685
Polar Surface Area
63.58
Rotatable Bonds
3
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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