Molecule

ID:10517

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₂
Molecular Mass
223.27158
Exact Mass
223.1320768
Charge
0
InChI
InChI=1S/C11H17N3O2/c1-15-9-7-10(16-2)14-11(13-9)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3
InChIKey
KLBDSBXBSWXRQE-UHFFFAOYSA-N
Canonic Smiles
COc1nc(nc(c1)OC)C1CCNCC1
Isomeric Smiles
c1(cc(nc(n1)C1CCNCC1)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.8948233
LogD (pH = 7.4)
-0.9740302
Log P
1.4315343
Molar Refractivity
61.3317
Polarizability
23.522388
Polar Surface Area
56.27
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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