Molecule

ID:52545

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₂
Molecular Mass
194.1906
Exact Mass
194.08037558
Charge
0
InChI
InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)
InChIKey
ALHNLFMSAXZKRC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)C(=O)NN
Isomeric Smiles
C(=O)(c1ccc(C(=O)NN)cc1)NN
Calculated Properties
JChem
Acid pKa
13.522701
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-0.92006654
LogD (pH = 7.4)
-0.91844594
Log P
-0.91842496
Molar Refractivity
53.183
Polarizability
18.898994
Polar Surface Area
110.24
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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