Molecule

ID:82886

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₃
Molecular Mass
234.2114
Exact Mass
234.0752902
Charge
0
InChI
InChI=1S/C10H10N4O3/c1-6-9(10(15)12-11)14(17)8-5-3-2-4-7(8)13(6)16/h2-5H,11H2,1H3,(H,12,15)
InChIKey
SAAFAQUUYXAZII-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2
Isomeric Smiles
[n+]1(c(c([n+](c2c1cccc2)[O-])C)C(=O)NN)[O-]
Calculated Properties
JChem
Acid pKa
9.721
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.190513
LogD (pH = 7.4)
-1.1918972
Log P
-1.190059
Molar Refractivity
63.7921
Polarizability
23.069958
Polar Surface Area
106.04
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
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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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