Molecule

ID:22388

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-2-10-11(15-7-14-10)5-8(1)9-6-12-3-4-13-9/h1-2,5,9,12-13H,3-4,6-7H2
InChIKey
IFBLQYWVJXGZPY-UHFFFAOYSA-N
Canonic Smiles
C1CNC(CN1)c1ccc2c(c1)OCO2
Isomeric Smiles
N1C(CNCC1)c1cc2OCOc2cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3837996
LogD (pH = 7.4)
-0.86209774
Log P
0.67866683
Molar Refractivity
55.4985
Polarizability
22.476223
Polar Surface Area
42.52
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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