Molecule

ID:37879

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O₃
Molecular Mass
217.26546
Exact Mass
217.14264148
Charge
0
InChI
InChI=1S/C9H19N3O3/c1-9(2,3)15-8(13)12(4)6-5-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11)
InChIKey
UZCLOPOHPILASZ-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/CCN(C(=O)OC(C)(C)C)C)\N
Isomeric Smiles
N(CC/C(=N/O)/N)(C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.762657
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.30661944
LogD (pH = 7.4)
0.057569534
Log P
0.065014474
Molar Refractivity
56.2385
Polarizability
21.831963
Polar Surface Area
88.15
Rotatable Bonds
5
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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