Molecule

ID:126403

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-3-15-11(14)13-12-9(2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H,13,14)
InChIKey
MSIUIUDKTKNUET-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NNC(c1ccccc1)C
Isomeric Smiles
O=C(OCC)NNC(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
12.815924
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.011698
LogD (pH = 7.4)
2.014028
Log P
2.0140593
Molar Refractivity
68.6811
Polarizability
22.858475
Polar Surface Area
50.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation