Molecule

ID:33300

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c1-6-4-2-3-5-7(6)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKey
WKMHUPQXRYLZLJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccccc1C
Isomeric Smiles
C(=O)(C(=O)Nc1c(C)cccc1)NN
Calculated Properties
JChem
Acid pKa
10.016272
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.5803012
LogD (pH = 7.4)
0.579617
Log P
0.5805534
Molar Refractivity
54.0634
Polarizability
19.630777
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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