Molecule

ID:121300

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₃
Molecular Mass
183.16466
Exact Mass
183.06439116
Charge
0
InChI
InChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,12)
InChIKey
GGHDCMZITFQXRE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(=O)[nH]c1N
Isomeric Smiles
c1(c([nH]c(=O)nc1)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.149302
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.82447064
LogD (pH = 7.4)
-0.83111477
Log P
-0.82432735
Molar Refractivity
53.6068
Polarizability
16.63002
Polar Surface Area
93.78
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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