Molecule

ID:74366

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₃
Molecular Mass
210.19
Exact Mass
210.0752902
Charge
0
InChI
InChI=1S/C8H10N4O3/c1-5(13)10-6-2-3-7(11-9)8(4-6)12(14)15/h2-4,11H,9H2,1H3,(H,10,13)
InChIKey
PQRKIJZIYQXVHB-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1[N+](=O)[O-])NC(=O)C
Isomeric Smiles
N(c1c(cc(cc1)NC(=O)C)[N+](=O)[O-])N
Calculated Properties
JChem
Acid pKa
14.200201
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.1243459
LogD (pH = 7.4)
1.1906093
Log P
1.192583
Molar Refractivity
57.9524
Polarizability
19.731092
Polar Surface Area
112.97
Rotatable Bonds
3
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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