Molecule

ID:61892

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₂
Molecular Mass
218.212
Exact Mass
218.08037558
Charge
0
InChI
InChI=1S/C10H10N4O2/c1-2-8-7-13(12-11-8)9-3-5-10(6-4-9)14(15)16/h3-7H,2H2,1H3
InChIKey
NSFJULHTFQSZNS-UHFFFAOYSA-N
Canonic Smiles
CCc1nnn(c1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1(nnc(c1)CC)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4500759
LogD (pH = 7.4)
2.4500787
Log P
2.4500787
Molar Refractivity
59.3198
Polarizability
22.015266
Polar Surface Area
76.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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