Molecule

ID:71952

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c10-12-8(13)6-11-9(14)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,14)(H,12,13)
InChIKey
GFEYJORMLBEOOP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNC(=O)c1ccccc1
Isomeric Smiles
N(CC(=O)NN)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.280008
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.57882226
LogD (pH = 7.4)
-0.57789
Log P
-0.5778728
Molar Refractivity
52.424
Polarizability
19.506235
Polar Surface Area
84.22
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
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Molecule Details
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References
Bioactivity
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