Molecule

ID:82895

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₂
Molecular Mass
218.212
Exact Mass
218.08037558
Charge
0
InChI
InChI=1S/C10H10N4O2/c1-6-9(10(15)13-11)12-7-4-2-3-5-8(7)14(6)16/h2-5H,11H2,1H3,(H,13,15)
InChIKey
BXKSNXFGUAUYHS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nc2ccccc2[n+](c1C)[O-]
Isomeric Smiles
[n+]1(c(c(nc2ccccc12)C(=O)NN)C)[O-]
Calculated Properties
JChem
Acid pKa
13.624967
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.14331694
LogD (pH = 7.4)
-0.14278461
Log P
-0.14277758
Molar Refractivity
59.6666
Polarizability
22.563217
Polar Surface Area
93.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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