Molecule

ID:84152

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O₂
Molecular Mass
206.2013
Exact Mass
206.08037558
Charge
0
InChI
InChI=1S/C9H10N4O2/c1-12(2)10-6-7-3-4-8-9(5-7)13(14)15-11-8/h3-6H,1-2H3
InChIKey
CLROVNSRBJNFME-UHFFFAOYSA-N
Canonic Smiles
CN(/N=C/c1ccc2c(c1)[n+]([O-])on2)C
Isomeric Smiles
[n+]1(c2c(no1)ccc(c2)/C=N/N(C)C)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.040255
LogD (pH = 7.4)
1.0425704
Log P
1.0426
Molar Refractivity
77.1697
Polarizability
21.13367
Polar Surface Area
67.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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