Molecule

ID:63231

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKey
BSYBBTZXKIYFRW-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CC(N)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.980226
LogD (pH = 7.4)
-0.52036923
Log P
0.85208637
Molar Refractivity
56.1465
Polarizability
22.230495
Polar Surface Area
55.56
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
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References
Bioactivity
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