Molecule

ID:76585

General Information
Structure
Molecular Formula
C₈H₁₀N₄O₃
Molecular Mass
210.19
Exact Mass
210.0752902
Charge
0
InChI
InChI=1S/C8H10N4O3/c1-11(2)4-6(5-13)8-7(12(14)15)3-9-10-8/h3-5H,1-2H3,(H,9,10)
InChIKey
SUGVIGXHFTXDTJ-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/c1n[nH]cc1[N+](=O)[O-]
Isomeric Smiles
n1c(/C(=C/N(C)C)/C=O)c(c[nH]1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.9408045
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.2367284
LogD (pH = 7.4)
0.2476725
Log P
0.2604723
Molar Refractivity
55.1627
Polarizability
19.382786
Polar Surface Area
94.81
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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