Molecule

ID:50616

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-11(2,3)13-8-5-4-6-12-10(8)15-7-9(13)14/h4-6H,7H2,1-3H3
InChIKey
NXHJESYEVATZBG-UHFFFAOYSA-N
Canonic Smiles
CC(N1C(=O)COc2c1cccn2)(C)C
Isomeric Smiles
c1ccc2c(n1)OCC(=O)N2C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0492338
LogD (pH = 7.4)
1.0494224
Log P
1.0494248
Molar Refractivity
55.9032
Polarizability
21.638414
Polar Surface Area
42.43
Rotatable Bonds
1
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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