Molecule

ID:21599

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-2-9(14)12-8-5-3-7(4-6-8)10(15)13-11/h3-6H,2,11H2,1H3,(H,12,14)(H,13,15)
InChIKey
XWUCHDVMSRWTCX-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1ccc(cc1)C(=O)NN
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CC)cc1)NN
Calculated Properties
JChem
Acid pKa
13.511213
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.4647589
LogD (pH = 7.4)
0.46564502
Log P
0.46565664
Molar Refractivity
59.1104
Polarizability
21.325407
Polar Surface Area
84.22
Rotatable Bonds
3
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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