Molecule

ID:41816

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃O₄
Molecular Mass
203.19582
Exact Mass
203.09060591
Charge
0
InChI
InChI=1S/C7H13N3O4/c1-3-14-6(11)4-5(8)9-10-7(12)13-2/h3-4H2,1-2H3,(H2,8,9)(H,10,12)
InChIKey
QXBNFJJIWCHQLY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=N)NNC(=O)OC
Isomeric Smiles
C(=O)(NNC(=N)CC(=O)OCC)OC
Calculated Properties
JChem
Acid pKa
13.411421
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.5109518
LogD (pH = 7.4)
-0.99382067
Log P
-0.47085458
Molar Refractivity
67.9041
Polarizability
18.34554
Polar Surface Area
100.51
Rotatable Bonds
6
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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