Molecule

ID:16222

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₃
Molecular Mass
229.27616
Exact Mass
229.14264148
Charge
0
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-7(6-13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)
InChIKey
HFMHEXPZANOFSL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC1C(=O)NN)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.820464
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.22991021
LogD (pH = 7.4)
-0.22867161
Log P
-0.22865428
Molar Refractivity
59.6217
Polarizability
23.024021
Polar Surface Area
84.66
Rotatable Bonds
3
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
References
Bioactivity
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