Molecule

ID:65615

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClN₃O₃
Molecular Mass
299.75332
Exact Mass
299.10366913
Charge
0
InChI
InChI=1S/C13H18ClN3O3/c1-13(2,3)12(19)16-8-6-7-9(15-10(8)14)11(18)17(4)20-5/h6-7H,1-5H3,(H,16,19)
InChIKey
JDYMMKFLTXMPGW-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(c(n1)Cl)NC(=O)C(C)(C)C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C(=O)N(C)OC
Calculated Properties
JChem
Acid pKa
11.420546
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4519873
LogD (pH = 7.4)
2.4519484
Log P
2.4519877
Molar Refractivity
78.1826
Polarizability
29.09078
Polar Surface Area
71.53
Rotatable Bonds
4
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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