Molecule

ID:63757

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₃
Molecular Mass
170.1659
Exact Mass
170.06914219
Charge
0
InChI
InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-6(10)9(2)8-5/h4,10H,3H2,1-2H3
InChIKey
DGKFSQSYGNVCAA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c(c1)O)C
Isomeric Smiles
c1(nn(c(c1)O)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
6.658369
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.70431465
LogD (pH = 7.4)
-0.042552363
Log P
0.7329668
Molar Refractivity
52.5975
Polarizability
15.883754
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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