Molecule

ID:51560

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₃
Molecular Mass
265.30826
Exact Mass
265.14264148
Charge
0
InChI
InChI=1S/C13H19N3O3/c1-15(19-3)13(17)10-6-7-11(14-12(10)18-2)16-8-4-5-9-16/h6-7H,4-5,8-9H2,1-3H3
InChIKey
IKSDJNKTGAKORT-UHFFFAOYSA-N
Canonic Smiles
COc1nc(ccc1C(=O)N(OC)C)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)OC)C(=O)N(C)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7485731
LogD (pH = 7.4)
1.7497389
Log P
1.7497538
Molar Refractivity
73.1829
Polarizability
26.98395
Polar Surface Area
54.9
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
No Data Available
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Molecule Details
References
Bioactivity
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