Molecule

ID:70914

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey
VLDUBDZWWNLZCU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc[nH]c1C
Isomeric Smiles
c1nc(c([nH]1)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.84855
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.21793565
LogD (pH = 7.4)
0.2643936
Log P
0.26643202
Molar Refractivity
40.2557
Polarizability
15.2225895
Polar Surface Area
54.98
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
References
Bioactivity
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