Molecule

ID:84313

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂N₃O₂
Molecular Mass
290.14582
Exact Mass
289.03848203
Charge
0
InChI
InChI=1S/C11H13Cl2N3O2/c1-11(2,3)10(17)18-16-9(14)6-4-7(12)15-8(13)5-6/h4-5H,1-3H3,(H2,14,16)
InChIKey
PVJLCWRGHJLKSI-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\OC(=O)C(C)(C)C)/c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C(=N/OC(=O)C(C)(C)C)/N)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.263338
LogD (pH = 7.4)
3.2637281
Log P
3.2637331
Molar Refractivity
71.5094
Polarizability
27.085384
Polar Surface Area
77.57
Rotatable Bonds
4
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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