Molecule

ID:85554

General Information
Structure
Molecular Formula
C₁₀H₉Cl₂N₃O₂
Molecular Mass
274.10336
Exact Mass
273.0071819
Charge
0
InChI
InChI=1S/C10H9Cl2N3O2/c11-6-1-7(12)3-8(2-6)14-4-10(17)15(13)5-9(14)16/h1-3H,4-5,13H2
InChIKey
OCPMLKBGXKGHAL-UHFFFAOYSA-N
Canonic Smiles
NN1CC(=O)N(CC1=O)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
N1(c2cc(cc(c2)Cl)Cl)C(=O)CN(C(=O)C1)N
Calculated Properties
JChem
Acid pKa
13.675322
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.58167946
LogD (pH = 7.4)
0.58266884
Log P
0.5826817
Molar Refractivity
64.375
Polarizability
24.69464
Polar Surface Area
66.64
Rotatable Bonds
1
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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