Molecule

ID:78228

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₂
Molecular Mass
219.23982
Exact Mass
219.10077667
Charge
0
InChI
InChI=1S/C11H13N3O2/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKey
QOLUHUNFWRRDQW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)N1CCOCC1
Isomeric Smiles
N1(c2nc3c(ccc(c3)N)o2)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0638224
LogD (pH = 7.4)
1.0647213
Log P
1.0647329
Molar Refractivity
60.3999
Polarizability
23.420954
Polar Surface Area
64.52
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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