Molecule

ID:82541

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₆O₂
Molecular Mass
305.1207
Exact Mass
304.02422895
Charge
0
InChI
InChI=1S/C9H10Cl2N6O2/c1-2-19-7(18)4-17-14-6(13-15-17)3-16-5-12-8(10)9(16)11/h5H,2-4H2,1H3
InChIKey
GFQBUXJLDRWXKB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nnc(n1)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)Cc1nn(CC(=O)OCC)nn1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1010246
LogD (pH = 7.4)
1.1024901
Log P
1.1025088
Molar Refractivity
81.4742
Polarizability
25.896296
Polar Surface Area
87.72
Rotatable Bonds
6
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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