Molecule

ID:63721

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O₂
Molecular Mass
201.26606
Exact Mass
201.14772686
Charge
0
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3
InChIKey
QMZFIRHRGPLKEV-UHFFFAOYSA-N
Canonic Smiles
NN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
O=C(N1CCN(N)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.48278424
LogD (pH = 7.4)
-0.12782067
Log P
-0.12075549
Molar Refractivity
54.928
Polarizability
21.352358
Polar Surface Area
58.8
Rotatable Bonds
2
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
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References
Bioactivity
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