Molecule

ID:68711

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)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3
InChIKey
NOTZYDYZBOBDFE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nccn1C
Isomeric Smiles
c1(nccn1C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6142133
LogD (pH = 7.4)
0.6162556
Log P
0.6162817
Molar Refractivity
40.1606
Polarizability
15.222633
Polar Surface Area
44.12
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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