Molecule

ID:82265

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₄O₂
Molecular Mass
303.14458
Exact Mass
302.033731
Charge
0
InChI
InChI=1S/C11H12Cl2N4O2/c12-8-5-7(6-9(13)15-8)10(18)16-11(14)17-1-3-19-4-2-17/h5-6H,1-4H2,(H2,14,16,18)
InChIKey
SNGLKVLNLPLZHB-UHFFFAOYSA-N
Canonic Smiles
N=C(N1CCOCC1)NC(=O)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
N(C(=N)N1CCOCC1)C(=O)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.981825
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.0249721
LogD (pH = 7.4)
1.2947915
Log P
1.3006333
Molar Refractivity
84.6922
Polarizability
27.35933
Polar Surface Area
78.31
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
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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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