Molecule

ID:12583

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2
InChIKey
WEHVQIQNGXWTME-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCOCC1
Isomeric Smiles
C(=O)(N1CCOCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22085412
LogD (pH = 7.4)
0.22377448
Log P
0.22381184
Molar Refractivity
58.7047
Polarizability
21.639992
Polar Surface Area
55.56
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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