Molecule

ID:78706

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₄O₂
Molecular Mass
305.16046
Exact Mass
304.04938107
Charge
0
InChI
InChI=1S/C11H14Cl2N4O2/c1-2-19-8(18)7-3-5-17(6-4-7)11-15-9(12)14-10(13)16-11/h7H,2-6H2,1H3
InChIKey
NLMZCAISETXZJS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1nc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1N1CCC(C(=O)OCC)CC1)Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0354753
LogD (pH = 7.4)
3.0354753
Log P
3.0354753
Molar Refractivity
75.793
Polarizability
27.760334
Polar Surface Area
68.21
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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