Molecule

ID:87539

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₃
Molecular Mass
183.16466
Exact Mass
183.06439116
Charge
0
InChI
InChI=1S/C7H9N3O3/c1-8-7-5(10(11)12)3-4-6(9-7)13-2/h3-4H,1-2H3,(H,8,9)
InChIKey
RSFNGZVULJTWHW-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(OC)ccc1[N+](=O)[O-]
Isomeric Smiles
n1c(c(ccc1OC)[N+](=O)[O-])NC
Calculated Properties
JChem
Acid pKa
16.06439
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.8495722
LogD (pH = 7.4)
1.8495795
Log P
1.8495795
Molar Refractivity
48.5098
Polarizability
16.908438
Polar Surface Area
79.97
Rotatable Bonds
3
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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