Molecule
ID:122602
General Information
Molecular Formula
C₁₁H₁₅N₃O₃
Molecular Mass
237.2551
Exact Mass
237.11134136
Charge
0
InChI
InChI=1S/C11H15N3O3/c1-8-9(10(15)16-2)7-12-11(13-8)14-3-5-17-6-4-14/h7H,3-6H2,1-2H3
InChIKey
JOYYLJUEADWIFK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(nc1C)N1CCOCC1
Isomeric Smiles
c1(nc(c(C(=O)OC)cn1)C)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.7525411
LogD (pH = 7.4)
0.75290734
Log P
0.75291204
Molar Refractivity
62.7882
Polarizability
23.27178
Polar Surface Area
64.55
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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