Molecule

ID:65885

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₄O₃
Molecular Mass
338.78936
Exact Mass
338.11456817
Charge
0
InChI
InChI=1S/C15H19ClN4O3/c1-15(2,3)23-14(21)20-5-4-10-11(16)17-13(18-12(10)20)19-6-8-22-9-7-19/h4-5H,6-9H2,1-3H3
InChIKey
WXGLJIHPWSSLLQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc2c1ccn2C(=O)OC(C)(C)C)N1CCOCC1
Isomeric Smiles
n1c2c(c(nc1N1CCOCC1)Cl)ccn2C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.9015653
LogD (pH = 7.4)
2.9015706
Log P
2.9015708
Molar Refractivity
87.7761
Polarizability
33.523514
Polar Surface Area
69.48
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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