Molecule

ID:85709

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
InChIKey
VFGRNTYELNYSKJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(=O)n(c(=O)n1C)C
Isomeric Smiles
n1(c(=O)n(c(=O)cc1N)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9091382
LogD (pH = 7.4)
-0.9091382
Log P
-0.9091382
Molar Refractivity
48.6987
Polarizability
14.46144
Polar Surface Area
66.64
Rotatable Bonds
0
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
References
Bioactivity
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