Molecule

ID:60600

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₄O₂
Molecular Mass
298.76856
Exact Mass
298.11965355
Charge
0
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)10-4-5-15-11(14)16-10/h4-5H,6-9H2,1-3H3
InChIKey
GZYDEJABHMSOIM-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1nc(nc(c1)N1CCN(CC1)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.407583
LogD (pH = 7.4)
2.408046
Log P
2.408052
Molar Refractivity
78.7135
Polarizability
29.4947
Polar Surface Area
58.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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