Molecule

ID:86505

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N₃O₃
Molecular Mass
294.13452
Exact Mass
293.03339665
Charge
0
InChI
InChI=1S/C10H13Cl2N3O3/c1-17-9(18-2)5-13-10(16)14-6-3-7(11)15-8(12)4-6/h3-4,9H,5H2,1-2H3,(H2,13,14,15,16)
InChIKey
XLHLLLVBHFUFSG-UHFFFAOYSA-N
Canonic Smiles
COC(CNC(=O)Nc1cc(Cl)nc(c1)Cl)OC
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)NCC(OC)OC)Cl
Calculated Properties
JChem
Acid pKa
12.533908
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.763785
LogD (pH = 7.4)
1.763782
Log P
1.763785
Molar Refractivity
70.8943
Polarizability
26.429878
Polar Surface Area
72.48
Rotatable Bonds
5
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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