Molecule

ID:44202

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₃
Molecular Mass
210.19
Exact Mass
210.0752902
Charge
0
InChI
InChI=1S/C8H10N4O3/c9-11-8(13)5-10-6-2-1-3-7(4-6)12(14)15/h1-4,10H,5,9H2,(H,11,13)
InChIKey
ZJLQXOCLNXQNPU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNc1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1(cccc(c1)NCC(=O)NN)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
11.634329
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.24049802
LogD (pH = 7.4)
-0.23946323
Log P
-0.23942687
Molar Refractivity
55.9674
Polarizability
19.745012
Polar Surface Area
112.97
Rotatable Bonds
4
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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