Molecule

ID:59325

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)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3
InChIKey
IJINSJSWDSHUBL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1nccnc1Cl)OC(C)(C)C
Isomeric Smiles
c1cnc(c(n1)Cl)N1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8118745
LogD (pH = 7.4)
1.8118887
Log P
1.8118889
Molar Refractivity
78.1029
Polarizability
29.450895
Polar Surface Area
58.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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