Molecule

ID:35099

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c1-6(13)11-8-5-3-2-4-7(8)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKey
QECAIFFXHWSKAI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1NC(=O)C
Isomeric Smiles
c1(C(=O)NN)c(NC(=O)C)cccc1
Calculated Properties
JChem
Acid pKa
12.713175
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.41472313
LogD (pH = 7.4)
0.41511378
Log P
0.41512078
Molar Refractivity
54.4835
Polarizability
19.494148
Polar Surface Area
84.22
Rotatable Bonds
2
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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