Molecule

ID:51520

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₃
Molecular Mass
210.19
Exact Mass
210.0752902
Charge
0
InChI
InChI=1S/C8H10N4O3/c1-9-7-6(8(13)10-2)3-5(4-11-7)12(14)15/h3-4H,1-2H3,(H,9,11)(H,10,13)
InChIKey
PACYUVJDLGFPOB-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cc(cnc1NC)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(nc1)NC)C(=O)NC)[O-]
Calculated Properties
JChem
Acid pKa
13.116602
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.4870936
LogD (pH = 7.4)
0.48710865
Log P
0.4871096
Molar Refractivity
55.7082
Polarizability
19.101824
Polar Surface Area
99.84
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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